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

Systemtic Name: 4-oxidanylidene-4-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoate Openeye Name: 4-oxo-4-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoate CAS Name: 4-oxo-4-[(3S)-5-phenyl-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]butanoate IUPAC Name: 4-oxo-4-[(3S)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoate Traditional Name: 4-keto-4-[(5S)-3-phenyl-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyrate Formula: C21H17N4O3- MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c26-20(8-9-21(27)28)25-19(13-17(24-25)14-4-2-1-3-5-14)15-6-7-16-18(12-15)23-11-10-22-16/h1-7,10-12,19H,8-9,13H2,(H,27,28)/p-1/t19-/m0/s1