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

Systemtic Name: 6-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyrazin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrazinyl)-1-piperazinyl]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-methyl-4-oxo-7-(4-pyrazin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-methyl-7-(4-pyrazin-2-ylpiperazino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C20H17F4N5O3 MolecularWeight: 451.374293

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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=NC=CN=C4)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17F4N5O3/c1-27-10-12(19(31)32)18(30)11-8-13(21)17(15(16(11)27)20(22,23)24)29-6-4-28(5-7-29)14-9-25-2-3-26-14/h2-3,8-10H,4-7H2,1H3,(H,31,32)