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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2/c1-4-5-19-20(22(26)27)21(17-9-7-16(13-23)8-10-17)24-25(19)18-11-6-14(2)15(3)12-18/h6-12H,4-5H2,1-3H3,(H,26,27)