N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-piperonylamide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)OCC(C1=O)(C)C

InChI

InChI=1S/C21H22N2O5/c1-4-23-15-7-6-14(10-17(15)26-11-21(2,3)20(23)25)22-19(24)13-5-8-16-18(9-13)28-12-27-16/h5-10H,4,11-12H2,1-3H3,(H,22,24)