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

Systemtic Name: 6-fluoranyl-4-oxidanylidene-1-propan-2-yl-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-isopropyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-1-propan-2-yl-7-[4-(2-pyrimidinyl)-1-piperazinyl]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-1-propan-2-yl-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-isopropyl-4-keto-7-[4-(2-pyrimidyl)piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C22H21F4N5O3 MolecularWeight: 479.427453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

InChI

InChI=1S/C22H21F4N5O3/c1-12(2)31-11-14(20(33)34)19(32)13-10-15(23)18(16(17(13)31)22(24,25)26)29-6-8-30(9-7-29)21-27-4-3-5-28-21/h3-5,10-12H,6-9H2,1-2H3,(H,33,34)