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

Systemtic Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(4-cyanophenyl)-5-isopropyl-pyrazole-4-carboxylic acid Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C20H16ClN3O2/c1-12(2)19-17(20(25)26)18(14-8-6-13(11-22)7-9-14)23-24(19)16-5-3-4-15(21)10-16/h3-10,12H,1-2H3,(H,25,26)