[(1R)-1-cyanoethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(p-tolyl)-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-methylbenzyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)O[C@H](C)C#N

InChI

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