(4-ethanoylphenyl) 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-ethanoylphenyl) 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-acetylphenyl) 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (4-acetylphenyl) ester Formula: C19H16N2O3 MolecularWeight: 320.34194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3/c1-14(22)16-7-9-18(10-8-16)24-19(23)17-11-20-21(13-17)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3