N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(5-ethanoyl-2-methoxy-phenyl)ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(5-ethanoyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-(5-acetyl-2-methoxyphenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C20H20ClNO5/c1-12(23)13-4-5-17(25-2)14(8-13)9-20(24)22-16-11-19-18(10-15(16)21)26-6-3-7-27-19/h4-5,8,10-11H,3,6-7,9H2,1-2H3,(H,22,24)