4-(4-cyano-2-methoxy-phenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide

Systemtic Name: 4-(4-cyano-2-methoxy-phenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide Openeye Name: 4-(4-cyano-2-methoxy-phenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide CAS Name: 4-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide IUPAC Name: 4-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide Traditional Name: 4-(4-cyano-2-methoxy-phenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyramide Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

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