[(1R)-1-cyanoethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC(C)C#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O2/c1-15-9-10-19(11-16(15)2)21-20(22(26)27-17(3)12-23)14-25(24-21)13-18-7-5-4-6-8-18/h4-11,14,17H,13H2,1-3H3/t17-/m1/s1