[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-phenyl-3-pyridazinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-phenyl-pyridazine-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H18N4O4/c1-15-13-19(27)21(25-26(15)18-5-3-2-4-6-18)22(29)30-14-20(28)24-17-9-7-16(8-10-17)11-12-23/h2-10,13H,11,14H2,1H3,(H,24,28)