4-[5-(2-fluoranyl-4-methoxy-phenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(2-fluoranyl-4-methoxy-phenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(2-fluoro-4-methoxy-phenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(2-fluoro-4-methoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(2-fluoro-4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(2-fluoro-4-methoxy-phenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C22H19FN4O4 MolecularWeight: 422.409063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O)F

InChI

InChI=1S/C22H19FN4O4/c1-31-14-3-4-15(16(23)11-14)18-12-20(27(26-18)21(28)6-7-22(29)30)13-2-5-17-19(10-13)25-9-8-24-17/h2-5,8-11,20H,6-7,12H2,1H3,(H,29,30)