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

Systemtic Name: 1-[[2-fluoranyl-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-fluoro-4-(1H-pyrazol-4-yl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C20H14FN3O3 MolecularWeight: 363.341863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2CC3=C(C=C(C=C3)C4=CNN=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2CC3=C(C=C(C=C3)C4=CNN=C4)F)C(=O)O

InChI

InChI=1S/C20H14FN3O3/c21-17-7-12(14-8-22-23-9-14)5-6-13(17)10-24-11-16(20(26)27)19(25)15-3-1-2-4-18(15)24/h1-9,11H,10H2,(H,22,23)(H,26,27)