1-[2,5-bis(chloranyl)phenyl]-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-3-phenethyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-3-phenethyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20Cl2N2O2/c1-2-6-18-20(21(26)27)17(12-9-14-7-4-3-5-8-14)24-25(18)19-13-15(22)10-11-16(19)23/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,26,27)