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

Systemtic Name: 3-(3-cyanophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-cyanophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-cyanophenyl)-1-(3,4-dimethylphenyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-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)C)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-4-18-19(21(25)26)20(16-7-5-6-15(11-16)12-22)23-24(18)17-9-8-13(2)14(3)10-17/h5-11H,4H2,1-3H3,(H,25,26)