1-(4-chlorophenyl)carbonyl-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(4-chlorobenzoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(4-chlorobenzoyl)-2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(4-chlorobenzoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H27ClN4O3 MolecularWeight: 502.99198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C28H27ClN4O3/c1-18-2-4-19(5-3-18)25-17-26(34)31-23-16-21(27(35)32-14-12-30-13-15-32)8-11-24(23)33(25)28(36)20-6-9-22(29)10-7-20/h2-11,16,25,30H,12-15,17H2,1H3,(H,31,34)