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

Systemtic Name: N-cyclohexyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: N-cyclohexyl-5-oxo-2-(p-tolyl)-4-(p-tolylmethyl)-3H-1,4-benzodiazepine-3-carboxamide CAS Name: N-cyclohexyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: N-cyclohexyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: N-cyclohexyl-5-keto-4-(4-methylbenzyl)-2-(p-tolyl)-3H-1,4-benzodiazepine-3-carboxamide Formula: C31H33N3O2 MolecularWeight: 479.61262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C)C(=O)NC5CCCCC5

InChI

InChI=1S/C31H33N3O2/c1-21-12-16-23(17-13-21)20-34-29(30(35)32-25-8-4-3-5-9-25)28(24-18-14-22(2)15-19-24)33-27-11-7-6-10-26(27)31(34)36/h6-7,10-19,25,29H,3-5,8-9,20H2,1-2H3,(H,32,35)