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

Systemtic Name: 8-fluoranyl-1-[[6-(4-fluorophenyl)pyridazin-3-yl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[6-(4-fluorophenyl)pyridazin-3-yl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[6-(4-fluorophenyl)-3-pyridazinyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[6-(4-fluorophenyl)pyridazin-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-1-[[6-(4-fluorophenyl)pyridazin-3-yl]methyl]-4-keto-quinoline-3-carboxylic acid Formula: C21H13F2N3O3 MolecularWeight: 393.343026

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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)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13F2N3O3/c22-13-6-4-12(5-7-13)18-9-8-14(24-25-18)10-26-11-16(21(28)29)20(27)15-2-1-3-17(23)19(15)26/h1-9,11H,10H2,(H,28,29)