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

Systemtic Name: 4-[(3S)-5-(2,4-dichlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(2,4-dichlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(2,4-dichlorophenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(2,4-dichlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(2,4-dichlorophenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H15Cl2N4O3- MolecularWeight: 442.2748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=C(C=C(C=C2)Cl)Cl)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1[C@H](N(N=C1C2=C(C=C(C=C2)Cl)Cl)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H16Cl2N4O3/c22-13-2-3-14(15(23)10-13)17-11-19(27(26-17)20(28)5-6-21(29)30)12-1-4-16-18(9-12)25-8-7-24-16/h1-4,7-10,19H,5-6,11H2,(H,29,30)/p-1/t19-/m0/s1