ethyl 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N4O4/c1-3-26-20(25)14-10-15(13-5-6-16-17(9-13)28-11-27-16)22-19-18(14)12(2)23-24(19)8-4-7-21/h5-6,9-10H,3-4,8,11H2,1-2H3