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

Systemtic Name: 8-fluoranyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[4-(1-methyl-4-pyrazolyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[4-(1-methylpyrazol-4-yl)benzyl]quinoline-3-carboxylic acid Formula: C21H16FN3O3 MolecularWeight: 377.368443

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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=C4)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O3/c1-24-11-15(9-23-24)14-7-5-13(6-8-14)10-25-12-17(21(27)28)20(26)16-3-2-4-18(22)19(16)25/h2-9,11-12H,10H2,1H3,(H,27,28)