6-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one

Systemtic Name: 6-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one Openeye Name: 1-benzyl-6-[4-(4-bromobenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one CAS Name: 6-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one IUPAC Name: 1-benzyl-6-[4-(4-bromobenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one Traditional Name: 1-benzyl-6-[4-(4-bromobenzoyl)piperazino]-3,4-dihydrocarbostyril Formula: C27H26BrN3O2 MolecularWeight: 504.41824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=C1C=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C2=C1C=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C27H26BrN3O2/c28-23-9-6-21(7-10-23)27(33)30-16-14-29(15-17-30)24-11-12-25-22(18-24)8-13-26(32)31(25)19-20-4-2-1-3-5-20/h1-7,9-12,18H,8,13-17,19H2