phenyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate

Systemtic Name: phenyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Openeye Name: phenyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid phenyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC3=CC=CC=C3)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC3=CC=CC=C3)CCC#N)C

InChI

InChI=1S/C21H19N3O2/c1-15-9-10-17(13-16(15)2)20-19(14-24(23-20)12-6-11-22)21(25)26-18-7-4-3-5-8-18/h3-5,7-10,13-14H,6,12H2,1-2H3