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

Systemtic Name: N-(2-azanylcyclohexyl)-1-(3,4-dichlorophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-1-(3,4-dichlorobenzoyl)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H28Cl2N4O3 MolecularWeight: 551.46362

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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)Cl)Cl

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)Cl)Cl

InChI

InChI=1S/C29H28Cl2N4O3/c30-20-12-10-19(14-21(20)31)29(38)35-25-13-11-18(28(37)34-23-9-5-4-8-22(23)32)15-24(25)33-27(36)16-26(35)17-6-2-1-3-7-17/h1-3,6-7,10-15,22-23,26H,4-5,8-9,16,32H2,(H,33,36)(H,34,37)