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

Systemtic Name: 2-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Openeye Name: 2-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid CAS Name: 2-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 2-cyclopropyl-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Traditional Name: 2-cyclopropyl-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Formula: C23H20F4N4O3 MolecularWeight: 476.423513

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=O)C3=CC(=C(C(=C3N2)C(F)(F)F)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1C2=C(C(=O)C3=CC(=C(C(=C3N2)C(F)(F)F)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C23H20F4N4O3/c24-14-11-13-19(29-18(12-4-5-12)16(21(13)32)22(33)34)17(23(25,26)27)20(14)31-9-7-30(8-10-31)15-3-1-2-6-28-15/h1-3,6,11-12H,4-5,7-10H2,(H,29,32)(H,33,34)