ethyl 1,5-dimethyl-3-(2-phenylethanoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1,5-dimethyl-3-(2-phenylethanoyl)pyrazole-4-carboxylate Openeye Name: ethyl 1,5-dimethyl-3-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 1,5-dimethyl-3-(1-oxo-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,5-dimethyl-3-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 1,5-dimethyl-3-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)CC2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)CC2=CC=CC=C2)C)C

InChI

InChI=1S/C16H18N2O3/c1-4-21-16(20)14-11(2)18(3)17-15(14)13(19)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3