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

Systemtic Name: 4-[(3S)-5-(5-fluoranyl-2-methoxy-phenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(5-fluoro-2-methoxy-phenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(5-fluoro-2-methoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(5-fluoro-2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(5-fluoro-2-methoxy-phenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C22H18FN4O4- MolecularWeight: 421.401123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H19FN4O4/c1-31-20-5-3-14(23)11-15(20)17-12-19(27(26-17)21(28)6-7-22(29)30)13-2-4-16-18(10-13)25-9-8-24-16/h2-5,8-11,19H,6-7,12H2,1H3,(H,29,30)/p-1/t19-/m0/s1