1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-piperazino-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C19H19F4N3O3 MolecularWeight: 413.366073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCNCC3)C(F)(F)F)N(C=C(C2=O)C(=O)O)C4CC4

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCNCC3)C(F)(F)F)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C19H19F4N3O3/c1-9-12-15(26(10-2-3-10)8-11(17(12)27)18(28)29)13(19(21,22)23)16(14(9)20)25-6-4-24-5-7-25/h8,10,24H,2-7H2,1H3,(H,28,29)