1-(3-chlorophenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-hex-3-enyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-hex-3-enyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-hex-3-enyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H21ClN2O2 MolecularWeight: 380.86734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O2/c1-2-3-4-8-14-19-20(22(26)27)21(16-10-6-5-7-11-16)25(24-19)18-13-9-12-17(23)15-18/h3-7,9-13,15H,2,8,14H2,1H3,(H,26,27)