[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C22H19FN4O4 MolecularWeight: 422.409063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(N=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C22H19FN4O4/c23-17-9-4-5-10-19(17)26(14-6-13-24)21(29)15-31-22(30)18-11-12-20(28)27(25-18)16-7-2-1-3-8-16/h1-5,7-10H,6,11-12,14-15H2