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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC=C(C=C2)C#N)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21N3O2/c1-15(2)21-20(22(26)27)19(13-10-16-6-4-3-5-7-16)24-25(21)18-11-8-17(14-23)9-12-18/h3-9,11-12,15H,10,13H2,1-2H3,(H,26,27)