6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C16H15F4N3O3 MolecularWeight: 373.302213

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(F)(F)F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(F)(F)F)F

InChI

InChI=1S/C16H15F4N3O3/c1-21-2-4-22(5-3-21)13-7-12-9(6-11(13)17)14(24)10(15(25)26)8-23(12)16(18,19)20/h6-8H,2-5H2,1H3,(H,25,26)