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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(2-methylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-3-isobutyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-3-(2-methylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-3-isobutyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C20H18Cl2N2O2 MolecularWeight: 389.27512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O2/c1-12(2)10-16-18(20(25)26)19(13-6-4-3-5-7-13)24(23-16)17-11-14(21)8-9-15(17)22/h3-9,11-12H,10H2,1-2H3,(H,25,26)