N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-piperonylamide Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C1=O)CC=C)C

InChI

InChI=1S/C22H22N2O5/c1-4-9-24-16-11-15(6-8-17(16)27-12-22(2,3)21(24)26)23-20(25)14-5-7-18-19(10-14)29-13-28-18/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,23,25)