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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-p-anisyl-3,4-dihydroisocarbostyril Formula: C36H39N3O2 MolecularWeight: 545.71376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H39N3O2/c1-41-32-18-16-28(17-19-32)27-39-35(26-31-14-8-9-15-34(31)36(39)40)38-24-22-37(23-25-38)21-20-33(29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-19,33,35H,20-27H2,1H3