3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-methyl-3,4-dihydroisocarbostyril Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC2=CC=CC=C2C1=O)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(CC2=CC=CC=C2C1=O)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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