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

Systemtic Name: 1-(4-cyanophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-3-phenethyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-3-phenethyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21N3O2/c1-2-6-20-21(22(26)27)19(14-11-16-7-4-3-5-8-16)24-25(20)18-12-9-17(15-23)10-13-18/h3-5,7-10,12-13H,2,6,11,14H2,1H3,(H,26,27)