3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoranyl-2-phenyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoranyl-2-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoro-2-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-5-fluoro-2-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-fluoro-2-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-5-fluoro-2-phenyl-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=C(C=CC=C5F)C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=C(C=CC=C5F)C(=O)N4C6=CC=CC=C6

InChI

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