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

Systemtic Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[4-(2-cyanophenyl)benzyl]-2-methyl-pyrazole-3-carboxylic acid Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O)C

InChI

InChI=1S/C23H23N3O2/c1-3-4-9-21-20(22(23(27)28)26(2)25-21)14-16-10-12-17(13-11-16)19-8-6-5-7-18(19)15-24/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,27,28)