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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclohexylcarbonyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclohexanecarbonyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[cyclohexyl(oxo)methyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclohexanecarbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclohexanecarbonyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4CCCCC4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4CCCCC4)C=CC(=C3)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C32H42N4O3/c1-21-10-12-24(13-11-21)29-18-30(37)35-27-17-26(31(38)34-20-23-7-5-6-22(16-23)19-33)14-15-28(27)36(29)32(39)25-8-3-2-4-9-25/h10-15,17,22-23,25,29H,2-9,16,18-20,33H2,1H3,(H,34,38)(H,35,37)