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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(4-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C35H37N3O2 MolecularWeight: 531.68718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H37N3O2/c1-40-31-18-16-30(17-19-31)38-34(26-29-14-8-9-15-33(29)35(38)39)37-24-22-36(23-25-37)21-20-32(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-19,32,34H,20-26H2,1H3