N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxidanylidene-2-phenyl-1-(2-phenylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxidanylidene-2-phenyl-1-(2-phenylethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-1-(1-oxo-2-phenylethyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H36N4O3 MolecularWeight: 524.65324

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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)CC5=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)CC5=CC=CC=C5)CN

InChI

InChI=1S/C32H36N4O3/c33-20-23-10-7-11-24(16-23)21-34-32(39)26-14-15-28-27(18-26)35-30(37)19-29(25-12-5-2-6-13-25)36(28)31(38)17-22-8-3-1-4-9-22/h1-6,8-9,12-15,18,23-24,29H,7,10-11,16-17,19-21,33H2,(H,34,39)(H,35,37)