5-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid Openeye Name: 5-[4-(2,4-dichlorophenyl)phenyl]-1-(3-pyridylmethyl)pyrazole-3-carboxylic acid CAS Name: 5-[4-(2,4-dichlorophenyl)phenyl]-1-(3-pyridinylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid Traditional Name: 5-[4-(2,4-dichlorophenyl)phenyl]-1-(3-pyridylmethyl)pyrazole-3-carboxylic acid Formula: C22H15Cl2N3O2 MolecularWeight: 424.2794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=CC(=N2)C(=O)O)C3=CC=C(C=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H15Cl2N3O2/c23-17-7-8-18(19(24)10-17)15-3-5-16(6-4-15)21-11-20(22(28)29)26-27(21)13-14-2-1-9-25-12-14/h1-12H,13H2,(H,28,29)