[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

InChI

InChI=1S/C20H21N3O3/c1-4-14-5-7-15(8-6-14)18(24)12-26-20(25)17-9-16-11-22-23(13(2)3)19(16)21-10-17/h5-11,13H,4,12H2,1-3H3