[1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxo-ethyl] 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OC(C)C(=O)NC3CCCC(C3C)C)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OC(C)C(=O)NC3CCCC(C3C)C)C

InChI

InChI=1S/C22H31N5O4/c1-6-30-20-11-10-19(25-26-20)27-15(4)17(12-23-27)22(29)31-16(5)21(28)24-18-9-7-8-13(2)14(18)3/h10-14,16,18H,6-9H2,1-5H3,(H,24,28)