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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=C(C=CC(=C2)Cl)Cl)CCC3=CC=CC=C3)C(=O)O

InChI

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