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

Systemtic Name: 1-(4-methylphenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]-1-(p-tolyl)-1,4-dihydroisoquinolin-3-one CAS Name: 1-(4-methylphenyl)-2-[3-(4-phenyl-1-piperazinyl)propyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(4-methylphenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 2-[3-(4-phenylpiperazino)propyl]-1-(p-tolyl)-1,4-dihydroisoquinolin-3-one Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2CCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3CC(=O)N2CCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O/c1-23-12-14-24(15-13-23)29-27-11-6-5-8-25(27)22-28(33)32(29)17-7-16-30-18-20-31(21-19-30)26-9-3-2-4-10-26/h2-6,8-15,29H,7,16-22H2,1H3