1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-thiazol-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-thiazolyl)-1-piperazinyl]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-thiazol-2-ylpiperazino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C21H18F4N4O3S MolecularWeight: 482.451233

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCN(CC4)C5=NC=CS5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCN(CC4)C5=NC=CS5)F)C(=O)O

InChI

InChI=1S/C21H18F4N4O3S/c22-14-9-12-16(29(11-1-2-11)10-13(18(12)30)19(31)32)15(21(23,24)25)17(14)27-4-6-28(7-5-27)20-26-3-8-33-20/h3,8-11H,1-2,4-7H2,(H,31,32)