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

Systemtic Name: 1-(3-chlorophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-phenethyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-phenethyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-phenethyl-5-propyl-pyrazole-4-carboxylic acid Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/c1-2-7-19-20(21(25)26)18(13-12-15-8-4-3-5-9-15)23-24(19)17-11-6-10-16(22)14-17/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,25,26)