(4-oxidanylidene-4-phenyl-butyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-16-21(17(2)24(23-16)19-12-7-4-8-13-19)22(26)27-15-9-14-20(25)18-10-5-3-6-11-18/h3-8,10-13H,9,14-15H2,1-2H3