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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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