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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-26(14-6-13-24)21(28)16-31-23(29)20-15-27(18-7-4-3-5-8-18)25-22(20)17-9-11-19(30-2)12-10-17/h3-5,7-12,15H,6,14,16H2,1-2H3