[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 2-ethylhexanoate

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 2-ethylhexanoate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H25ClN2O2 MolecularWeight: 396.9098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O2/c1-3-5-11-17(4-2)23(27)28-22-16-20(18-12-7-6-8-13-18)25-26(22)21-15-10-9-14-19(21)24/h6-10,12-17H,3-5,11H2,1-2H3