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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxidanylidene-1-(2-phenoxyethanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-1-(2-phenoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-1-(1-oxo-2-phenoxyethyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-oxo-1-(2-phenoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-1-(2-phenoxyacetyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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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)COC5=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)COC5=CC=CC=C5)CN

InChI

InChI=1S/C32H36N4O4/c33-19-22-8-7-9-23(16-22)20-34-32(39)25-14-15-28-27(17-25)35-30(37)18-29(24-10-3-1-4-11-24)36(28)31(38)21-40-26-12-5-2-6-13-26/h1-6,10-15,17,22-23,29H,7-9,16,18-21,33H2,(H,34,39)(H,35,37)