8-[bis(fluoranyl)methyl]-6-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methyl]-6-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethyl)-6-fluoro-1-methyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-(difluoromethyl)-6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethyl)-6-fluoro-1-methyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethyl)-6-fluoro-4-keto-1-methyl-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C20H18F3N5O3 MolecularWeight: 433.38383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

InChI

InChI=1S/C20H18F3N5O3/c1-26-10-12(19(30)31)17(29)11-9-13(21)16(14(15(11)26)18(22)23)27-5-7-28(8-6-27)20-24-3-2-4-25-20/h2-4,9-10,18H,5-8H2,1H3,(H,30,31)