4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-isoquinolin-1-one

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-isoquinolin-1-one Openeye Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-isoquinolin-1-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-isoquinolinone IUPAC Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylisoquinolin-1-one Traditional Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-isocarbostyril Formula: C21H20FN3O2 MolecularWeight: 365.400803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O2/c1-23-14-17(15-6-2-3-7-16(15)20(23)26)21(27)25-12-10-24(11-13-25)19-9-5-4-8-18(19)22/h2-9,14H,10-13H2,1H3