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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-(4-fluorophenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(4-chlorobenzoyl)-2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-2-(4-fluorophenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(4-chlorobenzoyl)-2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(4-chlorobenzoyl)-2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C27H24ClFN4O3 MolecularWeight: 506.955863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H24ClFN4O3/c28-20-6-1-18(2-7-20)27(36)33-23-10-5-19(26(35)32-13-11-30-12-14-32)15-22(23)31-25(34)16-24(33)17-3-8-21(29)9-4-17/h1-10,15,24,30H,11-14,16H2,(H,31,34)