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

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

Isomeric SMILES

C1CCOC(C1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

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