7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[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:

CN1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CCC2=C(C1=O)C=C(C=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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