2-(3-bromanyl-4,5-dimethoxy-phenyl)azepane

Systemtic Name: 2-(3-bromanyl-4,5-dimethoxy-phenyl)azepane Openeye Name: 2-(3-bromo-4,5-dimethoxy-phenyl)azepane CAS Name: 2-(3-bromo-4,5-dimethoxyphenyl)azepane IUPAC Name: 2-(3-bromo-4,5-dimethoxyphenyl)azepane Traditional Name: 2-(3-bromo-4,5-dimethoxy-phenyl)azepane Formula: C14H20BrNO2 MolecularWeight: 314.2181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CCCCCN2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CCCCCN2)Br)OC

InChI

InChI=1S/C14H20BrNO2/c1-17-13-9-10(8-11(15)14(13)18-2)12-6-4-3-5-7-16-12/h8-9,12,16H,3-7H2,1-2H3