5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-pentyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-pentyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-pentyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-pentyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-pentylpyrazole-3-carboxylic acid Traditional Name: 4-amyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid Formula: C21H19Cl3N2O2 MolecularWeight: 437.74676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19Cl3N2O2/c1-2-3-4-5-16-19(21(27)28)25-26(18-11-10-15(23)12-17(18)24)20(16)13-6-8-14(22)9-7-13/h6-12H,2-5H2,1H3,(H,27,28)