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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(oxan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(2-oxanylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(oxan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisocarbostyril Formula: C34H41N3O2 MolecularWeight: 523.70824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCOC(C1)CN2C(CC3=CC=CC=C3C2=O)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H41N3O2/c38-34-32-17-8-7-15-29(32)25-33(37(34)26-30-16-9-10-24-39-30)36-22-20-35(21-23-36)19-18-31(27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-8,11-15,17,30-31,33H,9-10,16,18-26H2