8-fluoranyl-4-oxidanylidene-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-4-oxidanylidene-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid Openeye Name: 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid CAS Name: 8-fluoro-4-oxo-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-(4-pyrazol-1-ylbenzyl)quinoline-3-carboxylic acid Formula: C20H14FN3O3 MolecularWeight: 363.341863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

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