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

Systemtic Name: [(1R)-1-cyanoethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C21H19N3O3/c1-14-7-9-17(10-8-14)24-13-19(21(25)27-15(2)12-22)20(23-24)16-5-4-6-18(11-16)26-3/h4-11,13,15H,1-3H3/t15-/m1/s1