[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H26N4O5 MolecularWeight: 426.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=NN(C(=O)C=C1)CCOC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=NN(C(=O)C=C1)CCOC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O5/c1-15(2)22(4,14-23)24-20(28)16(3)31-21(29)18-10-11-19(27)26(25-18)12-13-30-17-8-6-5-7-9-17/h5-11,15-16H,12-13H2,1-4H3,(H,24,28)