8-[bis(fluoranyl)methyl]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methyl]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C21H20F3N5O3 MolecularWeight: 447.41041

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

InChI

InChI=1S/C21H20F3N5O3/c1-2-27-11-13(20(31)32)18(30)12-10-14(22)17(15(16(12)27)19(23)24)28-6-8-29(9-7-28)21-25-4-3-5-26-21/h3-5,10-11,19H,2,6-9H2,1H3,(H,31,32)