1-(3-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(3-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(3-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(3-chlorophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(3-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(3-chlorophenyl)-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H28ClN3O/c28-21-8-6-7-20(19-21)26-24-12-5-4-11-23(24)25(27(32)29-26)13-14-30-15-17-31(18-16-30)22-9-2-1-3-10-22/h1-12,19,25-26H,13-18H2,(H,29,32)