3-(1-methyl-3,5-diphenyl-pyrazol-4-yl)-6-oxidanylidene-1H-pyridazine-5-carboxylic acid

Systemtic Name: 3-(1-methyl-3,5-diphenyl-pyrazol-4-yl)-6-oxidanylidene-1H-pyridazine-5-carboxylic acid Openeye Name: 3-(1-methyl-3,5-diphenyl-pyrazol-4-yl)-6-oxo-1H-pyridazine-5-carboxylic acid CAS Name: 3-(1-methyl-3,5-diphenyl-4-pyrazolyl)-6-oxo-1H-pyridazine-5-carboxylic acid IUPAC Name: 3-(1-methyl-3,5-diphenylpyrazol-4-yl)-6-oxo-1H-pyridazine-5-carboxylic acid Traditional Name: 6-keto-3-(1-methyl-3,5-diphenyl-pyrazol-4-yl)-1H-pyridazine-5-carboxylic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C3=NNC(=O)C(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C3=NNC(=O)C(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3/c1-25-19(14-10-6-3-7-11-14)17(18(24-25)13-8-4-2-5-9-13)16-12-15(21(27)28)20(26)23-22-16/h2-12H,1H3,(H,23,26)(H,27,28)