2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-methyl-isoquinolin-1-one CAS Name: 2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3-methyl-1-isoquinolinone IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-3-methyl-isocarbostyril Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2/c1-16-14-17-4-2-3-5-20(17)22(28)26(16)15-21(27)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h2-9,14H,10-13,15H2,1H3