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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (67,624)
Phenols (13,427)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
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Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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1,261 – 1,275 of 78,442 results
1,261

2-Chloro-4-fluorophenylacetonitrile, 97%

CAS: 75279-56-0 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD00236029 InChI Key: GSMCLMKFBYLWRP-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorophenylacetonitrile,2-chloro-4-fluorobenzyl cyanide,2-2-chloro-4-fluorophenyl acetonitrile,2-chloro-4-fluorobenzylcyanide,benzeneacetonitrile, 2-chloro-4-fluoro,2-chloro-fluorophenylacetonitrile,2-chloro-4-fluorophenyl acetonitrile,2-2-chloro-4-fluorophenyl ethanenitrile,pubchem4251 PubChem CID: 2725063 IUPAC Name: 2-(2-chloro-4-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1F)Cl)CC#N

PubChem CID 2725063
CAS 75279-56-0
Molecular Weight (g/mol) 169.583
MDL Number MFCD00236029
SMILES C1=CC(=C(C=C1F)Cl)CC#N
Synonym 2-chloro-4-fluorophenylacetonitrile,2-chloro-4-fluorobenzyl cyanide,2-2-chloro-4-fluorophenyl acetonitrile,2-chloro-4-fluorobenzylcyanide,benzeneacetonitrile, 2-chloro-4-fluoro,2-chloro-fluorophenylacetonitrile,2-chloro-4-fluorophenyl acetonitrile,2-2-chloro-4-fluorophenyl ethanenitrile,pubchem4251
IUPAC Name 2-(2-chloro-4-fluorophenyl)acetonitrile
InChI Key GSMCLMKFBYLWRP-UHFFFAOYSA-N
Molecular Formula C8H5ClFN
1,262

2-Fluoro-5-(trifluoromethoxy)benzyl bromide, 97%

CAS: 86256-24-8 Molecular Formula: C8H5BrF4O Molecular Weight (g/mol): 273.025 MDL Number: MFCD04115890 InChI Key: KOISGBFWQAPLFE-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene PubChem CID: 2783326 IUPAC Name: 2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene SMILES: C1=CC(=C(C=C1OC(F)(F)F)CBr)F

PubChem CID 2783326
CAS 86256-24-8
Molecular Weight (g/mol) 273.025
MDL Number MFCD04115890
SMILES C1=CC(=C(C=C1OC(F)(F)F)CBr)F
Synonym 2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene
IUPAC Name 2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene
InChI Key KOISGBFWQAPLFE-UHFFFAOYSA-N
Molecular Formula C8H5BrF4O
1,263

4-Amino-2,5-difluorobenzonitrile, 96%

CAS: 112279-61-5 Molecular Formula: C7H4F2N2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00190102 InChI Key: LAPGMTOHOQPDGI-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75 PubChem CID: 2735900 IUPAC Name: 4-amino-2,5-difluorobenzonitrile SMILES: C1=C(C(=CC(=C1F)N)F)C#N

PubChem CID 2735900
CAS 112279-61-5
Molecular Weight (g/mol) 154.12
MDL Number MFCD00190102
SMILES C1=C(C(=CC(=C1F)N)F)C#N
Synonym 2,5-difluoro-4-aminobenzonitrile,4-cyano-2,5-difluoroaniline,4-amino-2,5-difluoro-benzonitrile,4-amino-2,5-difluorobenzenecarbonitrile,4-cyano,pubchem3536,ksc507o5b,4-cyano-2,5-difluoro-aniline,timtec-bb sbb028311,buttpark 100\07-75
IUPAC Name 4-amino-2,5-difluorobenzonitrile
InChI Key LAPGMTOHOQPDGI-UHFFFAOYSA-N
Molecular Formula C7H4F2N2
1,264

2-Iodo-4-(trifluoromethyl)aniline, 99%

CAS: 163444-17-5 Molecular Formula: C7H5F3IN Molecular Weight (g/mol): 287.02 MDL Number: MFCD02683097 InChI Key: UKKWTZPXYIYONW-UHFFFAOYSA-N Synonym: 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride PubChem CID: 2783322 IUPAC Name: 2-iodo-4-(trifluoromethyl)aniline SMILES: NC1=C(I)C=C(C=C1)C(F)(F)F

PubChem CID 2783322
CAS 163444-17-5
Molecular Weight (g/mol) 287.02
MDL Number MFCD02683097
SMILES NC1=C(I)C=C(C=C1)C(F)(F)F
Synonym 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride
IUPAC Name 2-iodo-4-(trifluoromethyl)aniline
InChI Key UKKWTZPXYIYONW-UHFFFAOYSA-N
Molecular Formula C7H5F3IN
1,265

2-Iodotoluene, 98%

CAS: 615-37-2 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001042 InChI Key: RINOYHWVBUKAQE-UHFFFAOYSA-N Synonym: 2-iodotoluene,o-iodotoluene,o-tolyl iodide,benzene, 1-iodo-2-methyl,o-methyliodobenzene,toluene, o-iodo,iodotoluene,ortho-iodotoluene,2-methyliodobenzene,unii-8ok4h85t07 PubChem CID: 5128 ChEBI: CHEBI:39813 IUPAC Name: 1-iodo-2-methylbenzene SMILES: CC1=CC=CC=C1I

PubChem CID 5128
CAS 615-37-2
Molecular Weight (g/mol) 218.037
ChEBI CHEBI:39813
MDL Number MFCD00001042
SMILES CC1=CC=CC=C1I
Synonym 2-iodotoluene,o-iodotoluene,o-tolyl iodide,benzene, 1-iodo-2-methyl,o-methyliodobenzene,toluene, o-iodo,iodotoluene,ortho-iodotoluene,2-methyliodobenzene,unii-8ok4h85t07
IUPAC Name 1-iodo-2-methylbenzene
InChI Key RINOYHWVBUKAQE-UHFFFAOYSA-N
Molecular Formula C7H7I
1,266

4-Formyl-3-(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals

CAS: 1072944-24-1 Molecular Formula: C8H6BF3O3 Molecular Weight (g/mol): 217.938 MDL Number: MFCD09037498 InChI Key: OQDHNEKEJVPVDS-UHFFFAOYSA-N Synonym: 4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid PubChem CID: 44755197 IUPAC Name: [4-formyl-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O

PubChem CID 44755197
CAS 1072944-24-1
Molecular Weight (g/mol) 217.938
MDL Number MFCD09037498
SMILES B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O
Synonym 4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid
IUPAC Name [4-formyl-3-(trifluoromethyl)phenyl]boronic acid
InChI Key OQDHNEKEJVPVDS-UHFFFAOYSA-N
Molecular Formula C8H6BF3O3
1,267

1-Bromo-4-n-butylbenzene, 98%

CAS: 41492-05-1 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.118 MDL Number: MFCD00040934 InChI Key: BRGVKVZXDWGJBX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-butylbenzene,4-bromo-n-butylbenzene,4-n-butylbromobenzene,1-4-bromophenyl butane,benzene, 1-bromo-4-butyl,4-butyl bromobenzene,4-butyl-bromobenzene,4-1-butylbromobenzene,4-butyl phenylbromide,pubchem15109 PubChem CID: 521059 IUPAC Name: 1-bromo-4-butylbenzene SMILES: CCCCC1=CC=C(C=C1)Br

PubChem CID 521059
CAS 41492-05-1
Molecular Weight (g/mol) 213.118
MDL Number MFCD00040934
SMILES CCCCC1=CC=C(C=C1)Br
Synonym 1-bromo-4-n-butylbenzene,4-bromo-n-butylbenzene,4-n-butylbromobenzene,1-4-bromophenyl butane,benzene, 1-bromo-4-butyl,4-butyl bromobenzene,4-butyl-bromobenzene,4-1-butylbromobenzene,4-butyl phenylbromide,pubchem15109
IUPAC Name 1-bromo-4-butylbenzene
InChI Key BRGVKVZXDWGJBX-UHFFFAOYSA-N
Molecular Formula C10H13Br
1,268

3-(1H-Tetrazol-5-yl)phenol, 97%

CAS: 96859-34-6 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD06797247 InChI Key: IZORRBUQWFSCII-UHFFFAOYSA-N Synonym: 3-1h-tetrazol-5-yl phenol,5-3-hydroxyphenyl tetrazole,3-2h-tetrazol-5-yl phenol,3-2h-1,2,3,4-tetrazol-5-yl phenol,3-1h-1,2,3,4-tetrazol-5-yl phenol,m-tetrazolylphenol,3-2h-tetrazol-5-yl-phenol,5-3-hydroxyphenyl-1h-tetrazole PubChem CID: 13455763 SMILES: OC1=CC=CC(=C1)C1=NNN=N1

PubChem CID 13455763
CAS 96859-34-6
Molecular Weight (g/mol) 162.15
MDL Number MFCD06797247
SMILES OC1=CC=CC(=C1)C1=NNN=N1
Synonym 3-1h-tetrazol-5-yl phenol,5-3-hydroxyphenyl tetrazole,3-2h-tetrazol-5-yl phenol,3-2h-1,2,3,4-tetrazol-5-yl phenol,3-1h-1,2,3,4-tetrazol-5-yl phenol,m-tetrazolylphenol,3-2h-tetrazol-5-yl-phenol,5-3-hydroxyphenyl-1h-tetrazole
InChI Key IZORRBUQWFSCII-UHFFFAOYSA-N
Molecular Formula C7H6N4O
1,269

m-Toluamide, 99%

CAS: 618-47-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00007990 InChI Key: WGRPQCFFBRDZFV-UHFFFAOYSA-N Synonym: m-toluamide,benzamide, 3-methyl,m-methylbenzamide,3-methyl-benzamide,benzamide, 3-methyl-9ci,meta-toluamide,3-methylbenzamide,acmc-1b8qe,3-methylbenzenecarboximidic acid PubChem CID: 69253 IUPAC Name: 3-methylbenzamide SMILES: CC1=CC=CC(=C1)C(=O)N

PubChem CID 69253
CAS 618-47-3
Molecular Weight (g/mol) 135.166
MDL Number MFCD00007990
SMILES CC1=CC=CC(=C1)C(=O)N
Synonym m-toluamide,benzamide, 3-methyl,m-methylbenzamide,3-methyl-benzamide,benzamide, 3-methyl-9ci,meta-toluamide,3-methylbenzamide,acmc-1b8qe,3-methylbenzenecarboximidic acid
IUPAC Name 3-methylbenzamide
InChI Key WGRPQCFFBRDZFV-UHFFFAOYSA-N
Molecular Formula C8H9NO
1,270

2,4-Dichloro-5-sulfamoylbenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 2736-23-4 Molecular Formula: C7H5Cl2NO4S Molecular Weight (g/mol): 270.08 MDL Number: MFCD00007931 InChI Key: ZSHHRBYVHTVRFK-UHFFFAOYSA-N Synonym: lasamide,5-aminosulfonyl-2,4-dichlorobenzoic acid,2,4-dichloro-5-sulphamoylbenzoic acid,2,4-dichloro-5-sulfamoyl-benzoic acid,unii-leg53tf0sn,2,4-dichloro-5-sulfamylbenzoic acid,benzoic acid, 5-aminosulfonyl-2,4-dichloro,leg53tf0sn,3-sulfamoyl-4,6-dichlorobenzoic acid,benzoic acid, 2,4-dichloro-5-sulfamoyl PubChem CID: 17655 IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O

PubChem CID 17655
CAS 2736-23-4
Molecular Weight (g/mol) 270.08
MDL Number MFCD00007931
SMILES C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
Synonym lasamide,5-aminosulfonyl-2,4-dichlorobenzoic acid,2,4-dichloro-5-sulphamoylbenzoic acid,2,4-dichloro-5-sulfamoyl-benzoic acid,unii-leg53tf0sn,2,4-dichloro-5-sulfamylbenzoic acid,benzoic acid, 5-aminosulfonyl-2,4-dichloro,leg53tf0sn,3-sulfamoyl-4,6-dichlorobenzoic acid,benzoic acid, 2,4-dichloro-5-sulfamoyl
IUPAC Name 2,4-dichloro-5-sulfamoylbenzoic acid
InChI Key ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO4S
1,271

3-tert-Butylphenol, 99%

CAS: 585-34-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002300 InChI Key: CYEKUDPFXBLGHH-UHFFFAOYSA-N Synonym: m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol PubChem CID: 11450 ChEBI: CHEBI:34348 IUPAC Name: 3-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC(O)=C1

PubChem CID 11450
CAS 585-34-2
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:34348
MDL Number MFCD00002300
SMILES CC(C)(C)C1=CC=CC(O)=C1
Synonym m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol
IUPAC Name 3-tert-butylphenol
InChI Key CYEKUDPFXBLGHH-UHFFFAOYSA-N
Molecular Formula C10H14O
1,272

Chlorobis[4-(trifluoromethyl)phenyl]phosphine, 97%

CAS: 13685-24-0 Molecular Formula: C14H8ClF6P Molecular Weight (g/mol): 356.632 MDL Number: MFCD04972304 InChI Key: PBLUOOURLNAOAJ-UHFFFAOYSA-N Synonym: bis 4-trifluoromethylphenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphine,bis 4-trifluoromethyl phenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphane,acmc-20alnb,chloro-bis 4-trifluoromethyl phenyl phosphane PubChem CID: 4379933 IUPAC Name: chloro-bis[4-(trifluoromethyl)phenyl]phosphane SMILES: C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl

PubChem CID 4379933
CAS 13685-24-0
Molecular Weight (g/mol) 356.632
MDL Number MFCD04972304
SMILES C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl
Synonym bis 4-trifluoromethylphenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphine,bis 4-trifluoromethyl phenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphane,acmc-20alnb,chloro-bis 4-trifluoromethyl phenyl phosphane
IUPAC Name chloro-bis[4-(trifluoromethyl)phenyl]phosphane
InChI Key PBLUOOURLNAOAJ-UHFFFAOYSA-N
Molecular Formula C14H8ClF6P
1,273

2-Bromo-4-chloro-1-iodobenzene, 98%

CAS: 31928-44-6 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.348 MDL Number: MFCD00672944 InChI Key: CXHXFDQEFKFYQJ-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene PubChem CID: 13741326 IUPAC Name: 2-bromo-4-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Br)I

PubChem CID 13741326
CAS 31928-44-6
Molecular Weight (g/mol) 317.348
MDL Number MFCD00672944
SMILES C1=CC(=C(C=C1Cl)Br)I
Synonym 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene
IUPAC Name 2-bromo-4-chloro-1-iodobenzene
InChI Key CXHXFDQEFKFYQJ-UHFFFAOYSA-N
Molecular Formula C6H3BrClI
1,274

2-Fluoro-6-methoxybenzyl bromide, 98%

CAS: 500912-17-4 Molecular Formula: C8H8BrFO Molecular Weight (g/mol): 219.053 MDL Number: MFCD08688579 InChI Key: PVKFBCBTHHTDEX-UHFFFAOYSA-N Synonym: 2-fluoro-6-methoxybenzyl bromide,2-bromomethyl-1-fluoro-3-methoxybenzene,2-bromomethyl-3-fluoroanisole,2-fluoro-6-methoxy-benzyl bromide,2-bromomethyl-3-fluorophenyl methyl ether,benzene,2-bromomethyl-1-fluoro-3-methoxy,2-bromomethyl-1-fluoranyl-3-methoxy-benzene PubChem CID: 2779322 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-methoxybenzene SMILES: COC1=C(C(=CC=C1)F)CBr

PubChem CID 2779322
CAS 500912-17-4
Molecular Weight (g/mol) 219.053
MDL Number MFCD08688579
SMILES COC1=C(C(=CC=C1)F)CBr
Synonym 2-fluoro-6-methoxybenzyl bromide,2-bromomethyl-1-fluoro-3-methoxybenzene,2-bromomethyl-3-fluoroanisole,2-fluoro-6-methoxy-benzyl bromide,2-bromomethyl-3-fluorophenyl methyl ether,benzene,2-bromomethyl-1-fluoro-3-methoxy,2-bromomethyl-1-fluoranyl-3-methoxy-benzene
IUPAC Name 2-(bromomethyl)-1-fluoro-3-methoxybenzene
InChI Key PVKFBCBTHHTDEX-UHFFFAOYSA-N
Molecular Formula C8H8BrFO
1,275

1,8-Dibenzyl-1,4,8,11-tetraazacyclotetradecane

CAS: 214078-93-0 Molecular Formula: C24H36N4 Molecular Weight (g/mol): 380.58 MDL Number: MFCD09263312 InChI Key: QWGFFCRTIFBAFJ-UHFFFAOYSA-N Synonym: 1,8-dibenzyl-1,4,8,11-tetraazacyclotetradecane,acmc-1cidi,n 1 ,n 8-dibenzylcyclam,1,4,8,11-tetraazacyclotetradecane,1,8-bis phenylmethyl PubChem CID: 11176466 IUPAC Name: 1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane SMILES: C1CNCCN(CCCNCCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

PubChem CID 11176466
CAS 214078-93-0
Molecular Weight (g/mol) 380.58
MDL Number MFCD09263312
SMILES C1CNCCN(CCCNCCN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3
Synonym 1,8-dibenzyl-1,4,8,11-tetraazacyclotetradecane,acmc-1cidi,n 1 ,n 8-dibenzylcyclam,1,4,8,11-tetraazacyclotetradecane,1,8-bis phenylmethyl
IUPAC Name 1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane
InChI Key QWGFFCRTIFBAFJ-UHFFFAOYSA-N
Molecular Formula C24H36N4