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

Systemtic Name: 6-[4-(4-butylphenyl)carbonylpiperazin-1-yl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one Openeye Name: 1-benzyl-6-[4-(4-butylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one CAS Name: 6-[4-[(4-butylphenyl)-oxomethyl]-1-piperazinyl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one IUPAC Name: 1-benzyl-6-[4-(4-butylbenzoyl)piperazin-1-yl]-3,4-dihydroquinolin-2-one Traditional Name: 1-benzyl-6-[4-(4-butylbenzoyl)piperazino]-3,4-dihydrocarbostyril Formula: C31H35N3O2 MolecularWeight: 481.6285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)N(C(=O)CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)N(C(=O)CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O2/c1-2-3-7-24-10-12-26(13-11-24)31(36)33-20-18-32(19-21-33)28-15-16-29-27(22-28)14-17-30(35)34(29)23-25-8-5-4-6-9-25/h4-6,8-13,15-16,22H,2-3,7,14,17-21,23H2,1H3