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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-bromophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-bromophenyl)-oxomethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H35BrN4O3 MolecularWeight: 567.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C29H35BrN4O3/c30-21-8-4-7-20(15-21)29(37)34-25-14-9-19(28(36)32-23-12-10-22(31)11-13-23)16-24(25)33-27(35)17-26(34)18-5-2-1-3-6-18/h4,7-9,14-16,18,22-23,26H,1-3,5-6,10-13,17,31H2,(H,32,36)(H,33,35)