3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-pyridylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(4-pyridylmethyl)-3,4-dihydroisocarbostyril Formula: C34H36N4O MolecularWeight: 516.67584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4CC6=CC=NC=C6

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4CC6=CC=NC=C6

InChI

InChI=1S/C34H36N4O/c39-34-32-14-8-7-13-30(32)25-33(38(34)26-27-15-18-35-19-16-27)37-23-21-36(22-24-37)20-17-31(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-16,18-19,31,33H,17,20-26H2