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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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