(1,3-diphenylpyrazol-4-yl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c26-19-12-11-18(22-23-19)21(27)28-14-16-13-25(17-9-5-2-6-10-17)24-20(16)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,23,26)