phenyl 7-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate

Systemtic Name: phenyl 7-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Openeye Name: phenyl 7-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate CAS Name: 7-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Traditional Name: 7-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5)CN

InChI

InChI=1S/C31H34N4O4/c32-19-21-8-7-9-22(16-21)20-33-30(37)24-14-15-27-26(17-24)34-29(36)18-28(23-10-3-1-4-11-23)35(27)31(38)39-25-12-5-2-6-13-25/h1-6,10-15,17,21-22,28H,7-9,16,18-20,32H2,(H,33,37)(H,34,36)