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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)C3=NN(C(=C3)C(=O)O)CC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)C3=NN(C(=C3)C(=O)O)CC4=CC=NC=C4

InChI

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