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

Systemtic Name: 5-fluoranyl-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-fluoro-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-fluoro-1-[[4-(3-methyl-1-pyrazolyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-fluoro-1-[[4-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-fluoro-4-keto-1-[4-(3-methylpyrazol-1-yl)benzyl]quinoline-3-carboxylic acid Formula: C21H16FN3O3 MolecularWeight: 377.368443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=CC=C(C=C2)CN3C=C(C(=O)C4=C3C=CC=C4F)C(=O)O

Isomeric SMILES

CC1=NN(C=C1)C2=CC=C(C=C2)CN3C=C(C(=O)C4=C3C=CC=C4F)C(=O)O

InChI

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