methyl 3-(1,2-dimethyl-3-oxidanylidene-5-quinoxalin-6-yl-pyrazol-4-yl)benzoate

Systemtic Name: methyl 3-(1,2-dimethyl-3-oxidanylidene-5-quinoxalin-6-yl-pyrazol-4-yl)benzoate Openeye Name: methyl 3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-yl-pyrazol-4-yl)benzoate CAS Name: 3-[1,2-dimethyl-3-oxo-5-(6-quinoxalinyl)-4-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)benzoate Traditional Name: 3-(3-keto-1,2-dimethyl-5-quinoxalin-6-yl-3-pyrazolin-4-yl)benzoic acid methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)C(=O)OC)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)C(=O)OC)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H18N4O3/c1-24-19(14-7-8-16-17(12-14)23-10-9-22-16)18(20(26)25(24)2)13-5-4-6-15(11-13)21(27)28-3/h4-12H,1-3H3