methyl 5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

Systemtic Name: methyl 5-(4-cyclohexylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate Openeye Name: methyl 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate CAS Name: 5-[(4-cyclohexylphenyl)-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate Traditional Name: 5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CN3C=CC=C3CN2C(=O)C4=CC=C(C=C4)C5CCCCC5)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CN3C=CC=C3CN2C(=O)C4=CC=C(C=C4)C5CCCCC5)C=C1

InChI

InChI=1S/C27H28N2O3/c1-32-27(31)22-13-14-23-17-28-15-5-8-24(28)18-29(25(23)16-22)26(30)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h5,8-16,19H,2-4,6-7,17-18H2,1H3