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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(C)CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(C)CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C24H24N4O3/c1-17-10-11-19(14-18(17)2)23-21(15-28(26-23)20-8-5-4-6-9-20)24(30)31-16-22(29)27(3)13-7-12-25/h4-6,8-11,14-15H,7,13,16H2,1-3H3