1-(3-chlorophenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(2-phenylpropyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(2-phenylpropyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2/c1-3-8-20-21(22(26)27)19(13-15(2)16-9-5-4-6-10-16)24-25(20)18-12-7-11-17(23)14-18/h4-7,9-12,14-15H,3,8,13H2,1-2H3,(H,26,27)