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

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(m-tolylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[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)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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