4-[3-(4-chlorophenyl)-4-pyridin-4-yl-pyrazol-3-yl]-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-pyrazol-3-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[3-(4-chlorophenyl)-4-(4-pyridyl)pyrazol-3-yl]-2,2-dimethyl-butanoic acid CAS Name: 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-3-pyrazolyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[3-(4-chlorophenyl)-4-pyridin-4-ylpyrazol-3-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[3-(4-chlorophenyl)-4-(4-pyridyl)pyrazol-3-yl]-2,2-dimethyl-butyric acid Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1(C(=CN=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(CCC1(C(=CN=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H20ClN3O2/c1-19(2,18(25)26)9-10-20(15-3-5-16(21)6-4-15)17(13-23-24-20)14-7-11-22-12-8-14/h3-8,11-13H,9-10H2,1-2H3,(H,25,26)