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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(4-fluorophenyl)-3,4-dihydroisocarbostyril Formula: C34H34FN3O MolecularWeight: 519.651663

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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)N4C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)F

InChI

InChI=1S/C34H34FN3O/c35-29-15-17-30(18-16-29)38-33(25-28-13-7-8-14-32(28)34(38)39)37-23-21-36(22-24-37)20-19-31(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-18,31,33H,19-25H2