8-fluoranyl-4-oxidanylidene-1-[(6-pyrazol-1-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-4-oxidanylidene-1-[(6-pyrazol-1-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid Openeye Name: 8-fluoro-4-oxo-1-[(6-pyrazol-1-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid CAS Name: 8-fluoro-4-oxo-1-[[6-(1-pyrazolyl)-3-pyridazinyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-4-oxo-1-[(6-pyrazol-1-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[(6-pyrazol-1-ylpyridazin-3-yl)methyl]quinoline-3-carboxylic acid Formula: C18H12FN5O3 MolecularWeight: 365.317983

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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=NN=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C18H12FN5O3/c19-14-4-1-3-12-16(14)23(10-13(17(12)25)18(26)27)9-11-5-6-15(22-21-11)24-8-2-7-20-24/h1-8,10H,9H2,(H,26,27)