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

Systemtic Name: 1-(4-cyanophenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-ethyl-3-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-ethyl-3-phenethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-ethyl-3-phenethyl-pyrazole-4-carboxylic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19N3O2/c1-2-19-20(21(25)26)18(13-10-15-6-4-3-5-7-15)23-24(19)17-11-8-16(14-22)9-12-17/h3-9,11-12H,2,10,13H2,1H3,(H,25,26)