N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)OC1

InChI

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