3-cyanopropyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3-cyanopropyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 3-cyanopropyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid 3-cyanopropyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(=O)OCCCC#N

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(=O)OCCCC#N

InChI

InChI=1S/C22H22N4O4/c1-14(2)26-21-17(13-24-26)16(22(27)30-8-4-3-7-23)12-18(25-21)15-5-6-19-20(11-15)29-10-9-28-19/h5-6,11-14H,3-4,8-10H2,1-2H3