2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]-3,4-dihydroisocarbostyril Formula: C20H22ClN3O MolecularWeight: 355.86118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC=CC=C21)N3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)N3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O/c21-18-7-5-16(6-8-18)15-22-11-13-23(14-12-22)24-10-9-17-3-1-2-4-19(17)20(24)25/h1-8H,9-15H2