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

Systemtic Name: 4-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(3-methoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-3-(3-methoxyphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyrate Formula: C22H19N4O4- MolecularWeight: 403.41066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4/c1-30-16-4-2-3-14(11-16)18-13-20(26(25-18)21(27)7-8-22(28)29)15-5-6-17-19(12-15)24-10-9-23-17/h2-6,9-12,20H,7-8,13H2,1H3,(H,28,29)/p-1/t20-/m0/s1