[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid (2-keto-2-mesityl-ethyl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C)C

InChI

InChI=1S/C22H25N3O3/c1-12(2)25-21-17(10-23-25)9-18(16(6)24-21)22(27)28-11-19(26)20-14(4)7-13(3)8-15(20)5/h7-10,12H,11H2,1-6H3