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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-1-naphthalen-2-ylcarbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(naphthalene-2-carbonyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-1-[2-naphthalenyl(oxo)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(4-methylphenyl)-1-(naphthalene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-keto-1-(2-naphthoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C36H38N4O3 MolecularWeight: 574.71192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)C(=O)NCC6CCCC(C6)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)C(=O)NCC6CCCC(C6)CN

InChI

InChI=1S/C36H38N4O3/c1-23-9-11-27(12-10-23)33-20-34(41)39-31-19-29(35(42)38-22-25-6-4-5-24(17-25)21-37)15-16-32(31)40(33)36(43)30-14-13-26-7-2-3-8-28(26)18-30/h2-3,7-16,18-19,24-25,33H,4-6,17,20-22,37H2,1H3,(H,38,42)(H,39,41)