2-[3,5-bis(bromanyl)-2-methoxy-phenyl]azepane

Systemtic Name: 2-[3,5-bis(bromanyl)-2-methoxy-phenyl]azepane Openeye Name: 2-(3,5-dibromo-2-methoxy-phenyl)azepane CAS Name: 2-(3,5-dibromo-2-methoxyphenyl)azepane IUPAC Name: 2-(3,5-dibromo-2-methoxyphenyl)azepane Traditional Name: 2-(3,5-dibromo-2-methoxy-phenyl)azepane Formula: C13H17Br2NO MolecularWeight: 363.08818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2CCCCCN2)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C2CCCCCN2)Br)Br

InChI

InChI=1S/C13H17Br2NO/c1-17-13-10(7-9(14)8-11(13)15)12-5-3-2-4-6-16-12/h7-8,12,16H,2-6H2,1H3