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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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