4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C25H24FN3O2S/c1-27-23(21-7-4-16-32-21)22(19-5-2-3-6-20(19)24(27)30)25(31)29-14-12-28(13-15-29)18-10-8-17(26)9-11-18/h2-11,16,22-23H,12-15H2,1H3