(4-cyano-2-methoxy-phenyl) 1-[(4-fluorophenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-[(4-fluorophenyl)methyl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(4-fluorobenzyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H16FN3O4 MolecularWeight: 381.357143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=NN(C(=O)CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=NN(C(=O)CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O4/c1-27-18-10-14(11-22)4-8-17(18)28-20(26)16-7-9-19(25)24(23-16)12-13-2-5-15(21)6-3-13/h2-6,8,10H,7,9,12H2,1H3