N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-piperonyl-propionamide Formula: C22H19N5O4 MolecularWeight: 417.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H19N5O4/c28-20(23-11-14-6-7-17-18(10-14)31-13-30-17)9-8-19-25-21-16(22(29)26-19)12-24-27(21)15-4-2-1-3-5-15/h1-7,10,12,24H,8-9,11,13H2,(H,23,28)