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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(4-fluorobenzoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H31FN4O3 MolecularWeight: 514.590543

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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)F)C=CC(=C3)C(=O)NC5CCCCC5N

Isomeric SMILES

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

InChI

InChI=1S/C30H31FN4O3/c1-18-6-8-19(9-7-18)27-17-28(36)33-25-16-21(29(37)34-24-5-3-2-4-23(24)32)12-15-26(25)35(27)30(38)20-10-13-22(31)14-11-20/h6-16,23-24,27H,2-5,17,32H2,1H3,(H,33,36)(H,34,37)