1-ethyl-6-fluoranyl-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-4-keto-quinoline-3-carboxylic acid Formula: C22H19F2N3O3 MolecularWeight: 411.401366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC(=N3)C4=CC=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCCC(=N3)C4=CC=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C22H19F2N3O3/c1-2-26-12-16(22(29)30)21(28)15-10-17(24)20(11-19(15)26)27-9-3-4-18(25-27)13-5-7-14(23)8-6-13/h5-8,10-12H,2-4,9H2,1H3,(H,29,30)