propan-2-yl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: propan-2-yl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Openeye Name: isopropyl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid isopropyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CCC#N

Isomeric SMILES

CC(C)OC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CCC#N

InChI

InChI=1S/C18H21N3O4/c1-12(2)25-18(22)14-11-21(9-5-8-19)20-17(14)13-6-7-15(23-3)16(10-13)24-4/h6-7,10-12H,5,9H2,1-4H3