(5-cyano-2-fluoranyl-phenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C19H16FN5O3 MolecularWeight: 381.360443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCC3=C(C=CC(=C3)C#N)F)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCC3=C(C=CC(=C3)C#N)F)C

InChI

InChI=1S/C19H16FN5O3/c1-3-27-18-7-6-17(23-24-18)25-12(2)15(10-22-25)19(26)28-11-14-8-13(9-21)4-5-16(14)20/h4-8,10H,3,11H2,1-2H3