N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)OC1

InChI

InChI=1S/C23H21N5O4/c29-21(25-15-7-8-18-19(13-15)32-12-4-11-31-18)10-9-20-26-22-17(23(30)27-20)14-24-28(22)16-5-2-1-3-6-16/h1-3,5-8,13-14,24H,4,9-12H2,(H,25,29)