7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(p-tolylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[4-(3,3-diphenylpropyl)piperazino]-2-(4-methylbenzyl)-3,4-dihydroisocarbostyril Formula: C36H39N3O MolecularWeight: 529.71436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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