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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2CCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2CCCN4CCN(CC4)C5=CC=CC=C5

InChI

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