phenacyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: phenacyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: phenacyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid phenacyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-14-19(15(2)22(21-14)17-11-7-4-8-12-17)20(24)25-13-18(23)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3