(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H19N5O3 MolecularWeight: 425.43936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N5O3/c1-17-20(14-25)22(29(26-17)19-10-6-3-7-11-19)16-32-24(31)21-12-13-23(30)28(27-21)15-18-8-4-2-5-9-18/h2-13H,15-16H2,1H3