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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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