1,3-benzodioxol-5-yl 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C22H17N3O4 MolecularWeight: 387.38808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O4/c1-2-25-21-17(12-23-25)16(11-18(24-21)14-6-4-3-5-7-14)22(26)29-15-8-9-19-20(10-15)28-13-27-19/h3-12H,2,13H2,1H3