1-(4-cyanophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-ethyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CC(C)C3=CC=CC=C3)C(=O)O

InChI

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