N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-1-naphthalen-2-ylcarbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-methylphenyl)-1-naphthalen-2-ylcarbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(naphthalene-2-carbonyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-1-[2-naphthalenyl(oxo)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-methylphenyl)-1-(naphthalene-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-4-keto-1-(2-naphthoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C34H34N4O3 MolecularWeight: 546.65876

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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)NC6CCCCC6N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)C(=O)NC6CCCCC6N

InChI

InChI=1S/C34H34N4O3/c1-21-10-12-23(13-11-21)31-20-32(39)36-29-19-25(33(40)37-28-9-5-4-8-27(28)35)16-17-30(29)38(31)34(41)26-15-14-22-6-2-3-7-24(22)18-26/h2-3,6-7,10-19,27-28,31H,4-5,8-9,20,35H2,1H3,(H,36,39)(H,37,40)