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

Systemtic Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-5-isopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-5-isopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-13(2)20-18(21(25)26)19(15-6-4-14(12-22)5-7-15)23-24(20)16-8-10-17(27-3)11-9-16/h4-11,13H,1-3H3,(H,25,26)