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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C22H19F4N5O3 MolecularWeight: 477.411573

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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=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCN(CC4)C5=NC=CC=N5)F)C(=O)O

InChI

InChI=1S/C22H19F4N5O3/c23-15-10-13-17(31(12-2-3-12)11-14(19(13)32)20(33)34)16(22(24,25)26)18(15)29-6-8-30(9-7-29)21-27-4-1-5-28-21/h1,4-5,10-12H,2-3,6-9H2,(H,33,34)