5-fluoranyl-1-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-fluoranyl-1-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-fluoro-1-[[2-fluoro-4-(1-methyl-4-pyrazolyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-fluoro-1-[2-fluoro-4-(1-methylpyrazol-4-yl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C21H15F2N3O3 MolecularWeight: 395.358906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=C3C=CC=C4F)C(=O)O)F

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=C3C=CC=C4F)C(=O)O)F

InChI

InChI=1S/C21H15F2N3O3/c1-25-9-14(8-24-25)12-5-6-13(17(23)7-12)10-26-11-15(21(28)29)20(27)19-16(22)3-2-4-18(19)26/h2-9,11H,10H2,1H3,(H,28,29)