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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(4-fluorophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(4-fluorophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H29FN4O3 MolecularWeight: 500.563963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H29FN4O3/c30-21-13-10-19(11-14-21)29(37)34-25-15-12-20(28(36)33-23-9-5-4-8-22(23)31)16-24(25)32-27(35)17-26(34)18-6-2-1-3-7-18/h1-3,6-7,10-16,22-23,26H,4-5,8-9,17,31H2,(H,32,35)(H,33,36)