6-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-methyl-7-[4-(2-pyridyl)piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C21H18F4N4O3 MolecularWeight: 450.386233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F4N4O3/c1-27-11-13(20(31)32)19(30)12-10-14(22)18(16(17(12)27)21(23,24)25)29-8-6-28(7-9-29)15-4-2-3-5-26-15/h2-5,10-11H,6-9H2,1H3,(H,31,32)