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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(2-phenylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(2,5-dichlorophenyl)-5-isopropyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(2,5-dichlorophenyl)-3-(2-phenylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,5-dichlorophenyl)-3-(2-phenylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(2,5-dichlorophenyl)-5-isopropyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C22H22Cl2N2O2 MolecularWeight: 417.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N2O2/c1-13(2)21-20(22(27)28)18(11-14(3)15-7-5-4-6-8-15)25-26(21)19-12-16(23)9-10-17(19)24/h4-10,12-14H,11H2,1-3H3,(H,27,28)