5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylic acid Openeye Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylic acid Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxylic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C22H21N3O2/c1-2-3-7-19-13-21(22(26)27)24-25(19)15-16-9-11-17(12-10-16)20-8-5-4-6-18(20)14-23/h4-6,8-13H,2-3,7,15H2,1H3,(H,26,27)