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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7-fluoranyl-2-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7-fluoro-2-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-7-fluoro-2-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7-fluoro-2-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-7-fluoro-2-phenyl-3,4-dihydroisocarbostyril Formula: C34H34FN3O MolecularWeight: 519.651663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=C(C=C(C=C5)F)C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=C(C=C(C=C5)F)C(=O)N4C6=CC=CC=C6

InChI

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