N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4Cl)OCCCO5

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4Cl)OCCCO5

InChI

InChI=1S/C22H19ClN4O3S/c1-2-27-21-14(12-24-27)13(9-17(25-21)20-5-3-8-31-20)22(28)26-16-11-19-18(10-15(16)23)29-6-4-7-30-19/h3,5,8-12H,2,4,6-7H2,1H3,(H,26,28)