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

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 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)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4/c1-17(22(29)26(16-8-15-24)18-9-4-2-5-10-18)31-23(30)20-13-14-21(28)27(25-20)19-11-6-3-7-12-19/h2-7,9-12,17H,8,13-14,16H2,1H3