phenyl 7-[(2-azanylcyclohexyl)carbamoyl]-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate

Systemtic Name: phenyl 7-[(2-azanylcyclohexyl)carbamoyl]-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Openeye Name: phenyl 7-[(2-aminocyclohexyl)carbamoyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate CAS Name: 7-[[(2-aminocyclohexyl)amino]-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 7-[(2-aminocyclohexyl)carbamoyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylate Traditional Name: 7-[(2-aminocyclohexyl)carbamoyl]-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-1-carboxylic acid phenyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4/c30-22-13-7-8-14-23(22)32-28(35)20-15-16-25-24(17-20)31-27(34)18-26(19-9-3-1-4-10-19)33(25)29(36)37-21-11-5-2-6-12-21/h1-6,9-12,15-17,22-23,26H,7-8,13-14,18,30H2,(H,31,34)(H,32,35)