1-(2-chlorophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 1-(2-chlorophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(2-chlorophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one CAS Name: 1-(2-chlorophenyl)-2-[3-(4-phenyl-1-piperazinyl)propyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(2-chlorophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(2-chlorophenyl)-2-[3-(4-phenylpiperazino)propyl]-1,4-dihydroisoquinolin-3-one Formula: C28H30ClN3O MolecularWeight: 460.0103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(C3=CC=CC=C3CC2=O)C4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C(C3=CC=CC=C3CC2=O)C4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H30ClN3O/c29-26-14-7-6-13-25(26)28-24-12-5-4-9-22(24)21-27(33)32(28)16-8-15-30-17-19-31(20-18-30)23-10-2-1-3-11-23/h1-7,9-14,28H,8,15-21H2