6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(2-oxidanylidene-2-phenylazanyl-ethyl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(2-oxidanylidene-2-phenylazanyl-ethyl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(2-anilino-2-oxo-ethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isopropyl-N-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(2-anilino-2-oxoethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-anilino-2-oxoethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(2-anilino-2-keto-ethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isopropyl-N-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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)N(C)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(=O)N(C)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-17(2)32-26-21(15-28-32)20(27(34)31(3)16-25(33)29-19-7-5-4-6-8-19)14-22(30-26)18-9-10-23-24(13-18)36-12-11-35-23/h4-10,13-15,17H,11-12,16H2,1-3H3,(H,29,33)