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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(4-dimethylaminophenyl)carbonyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-[4-(dimethylamino)benzoyl]-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(4-dimethylaminophenyl)-oxomethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-[4-(dimethylamino)benzoyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-[4-(dimethylamino)benzoyl]-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)N(C)C)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)N(C)C)C=CC(=C3)C(=O)NC5CCCCC5N

InChI

InChI=1S/C32H37N5O3/c1-20-8-10-21(11-9-20)29-19-30(38)34-27-18-23(31(39)35-26-7-5-4-6-25(26)33)14-17-28(27)37(29)32(40)22-12-15-24(16-13-22)36(2)3/h8-18,25-26,29H,4-7,19,33H2,1-3H3,(H,34,38)(H,35,39)