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

Systemtic Name: 4-[(3S)-5-(2-methylpyrazol-3-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(2-methylpyrazol-3-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(2-methyl-3-pyrazolyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(2-methylpyrazol-3-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-3-(2-methylpyrazol-3-yl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyrate Formula: C19H17N6O3- MolecularWeight: 377.37668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN1C(=CC=N1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H18N6O3/c1-24-16(6-7-22-24)15-11-17(25(23-15)18(26)4-5-19(27)28)12-2-3-13-14(10-12)21-9-8-20-13/h2-3,6-10,17H,4-5,11H2,1H3,(H,27,28)/p-1/t17-/m0/s1