ethyl 1-(4-cyanophenyl)-5-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-cyanophenyl)-5-propan-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-5-isopropyl-pyrazole-4-carboxylate CAS Name: 1-(4-cyanophenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-5-propan-2-ylpyrazole-4-carboxylate Traditional Name: 1-(4-cyanophenyl)-5-isopropyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C#N)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C#N)C(C)C

InChI

InChI=1S/C16H17N3O2/c1-4-21-16(20)14-10-18-19(15(14)11(2)3)13-7-5-12(9-17)6-8-13/h5-8,10-11H,4H2,1-3H3