ethyl 5-methyl-3-(2-phenylethanoyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-3-(2-phenylethanoyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-methyl-3-(2-phenylacetyl)pyrazole-4-carboxylate CAS Name: 5-methyl-3-(1-oxo-2-phenylethyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-methyl-3-(2-phenylacetyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-5-methyl-3-(2-phenylacetyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)CC2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)CC2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O3/c1-3-27-22(26)20-16(2)24(15-18-12-8-5-9-13-18)23-21(20)19(25)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3