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

Systemtic Name: 5-[3,5-bis(bromanyl)-2-methoxy-phenoxy]-2-methyl-azepane Openeye Name: 5-(3,5-dibromo-2-methoxy-phenoxy)-2-methyl-azepane CAS Name: 5-(3,5-dibromo-2-methoxyphenoxy)-2-methylazepane IUPAC Name: 5-(3,5-dibromo-2-methoxyphenoxy)-2-methylazepane Traditional Name: 5-(3,5-dibromo-2-methoxy-phenoxy)-2-methyl-azepane Formula: C14H19Br2NO2 MolecularWeight: 393.11416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CCN1)OC2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CC1CCC(CCN1)OC2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C14H19Br2NO2/c1-9-3-4-11(5-6-17-9)19-13-8-10(15)7-12(16)14(13)18-2/h7-9,11,17H,3-6H2,1-2H3