7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CNC(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O/c32-28-27-21-25(12-11-24(27)13-15-29-28)31-19-17-30(18-20-31)16-14-26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,21,26H,13-20H2,(H,29,32)