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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-(3-bromophenyl)carbonyl-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-[(3-bromophenyl)-oxomethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-(3-bromobenzoyl)-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C28H35BrN4O3 MolecularWeight: 555.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(CN)CNC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C28H35BrN4O3/c1-28(2,16-30)17-31-26(35)19-11-12-23-22(14-19)32-25(34)15-24(18-7-4-3-5-8-18)33(23)27(36)20-9-6-10-21(29)13-20/h6,9-14,18,24H,3-5,7-8,15-17,30H2,1-2H3,(H,31,35)(H,32,34)