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

Systemtic Name: 4-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[(3S)-5-(p-tolyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoate CAS Name: 4-[(3S)-5-(4-methylphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-3-(p-tolyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyrate Formula: C22H19N4O3- MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H20N4O3/c1-14-2-4-15(5-3-14)18-13-20(26(25-18)21(27)8-9-22(28)29)16-6-7-17-19(12-16)24-11-10-23-17/h2-7,10-12,20H,8-9,13H2,1H3,(H,28,29)/p-1/t20-/m0/s1