[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H24N4O5/c1-27(13-7-12-25)22(29)16-33-24(30)23-19(15-28(26-23)18-8-5-4-6-9-18)17-10-11-20(31-2)21(14-17)32-3/h4-6,8-11,14-15H,7,13,16H2,1-3H3