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

Systemtic Name: 4-[5-(2-methylpyrazol-3-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(2-methylpyrazol-3-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(2-methyl-3-pyrazolyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(2-methylpyrazol-3-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(2-methylpyrazol-3-yl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyric acid Formula: C19H18N6O3 MolecularWeight: 378.38462

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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(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)