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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1-phenylethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1-phenylethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(1-phenylethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(1-phenylethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(1-phenylethyl)-3,4-dihydroisocarbostyril Formula: C36H39N3O MolecularWeight: 529.71436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H39N3O/c1-28(29-13-5-2-6-14-29)39-35(27-32-19-11-12-20-34(32)36(39)40)38-25-23-37(24-26-38)22-21-33(30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-20,28,33,35H,21-27H2,1H3