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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

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