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

Systemtic Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC=CC=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-28-27-14-8-7-13-25(27)15-18-31(28)30-21-19-29(20-22-30)17-16-26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,26H,15-22H2