3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(3,4-dimethylphenyl)-5-isopropyl-pyrazole-4-carboxylic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)C#N)C(=O)O)C(C)C)C

InChI

InChI=1S/C22H21N3O2/c1-13(2)21-19(22(26)27)20(17-8-6-16(12-23)7-9-17)24-25(21)18-10-5-14(3)15(4)11-18/h5-11,13H,1-4H3,(H,26,27)