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

Systemtic Name: 1-(4-cyanophenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-methyl-3-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-methyl-3-phenethylpyrazole-4-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-methyl-3-phenethyl-pyrazole-4-carboxylic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H17N3O2/c1-14-19(20(24)25)18(12-9-15-5-3-2-4-6-15)22-23(14)17-10-7-16(13-21)8-11-17/h2-8,10-11H,9,12H2,1H3,(H,24,25)