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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3-bromobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(3-bromobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H29BrN4O3 MolecularWeight: 561.46956

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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(=CC=C5)Br

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(=CC=C5)Br

InChI

InChI=1S/C29H29BrN4O3/c30-21-10-6-9-20(15-21)29(37)34-25-14-13-19(28(36)33-23-12-5-4-11-22(23)31)16-24(25)32-27(35)17-26(34)18-7-2-1-3-8-18/h1-3,6-10,13-16,22-23,26H,4-5,11-12,17,31H2,(H,32,35)(H,33,36)