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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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