4-(4-bromanylphenoxy)-1,3-dimethyl-azepane

Systemtic Name: 4-(4-bromanylphenoxy)-1,3-dimethyl-azepane Openeye Name: 4-(4-bromophenoxy)-1,3-dimethyl-azepane CAS Name: 4-(4-bromophenoxy)-1,3-dimethylazepane IUPAC Name: 4-(4-bromophenoxy)-1,3-dimethylazepane Traditional Name: 4-(4-bromophenoxy)-1,3-dimethyl-azepane Formula: C14H20BrNO MolecularWeight: 298.2187

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCC1OC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1CN(CCCC1OC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H20BrNO/c1-11-10-16(2)9-3-4-14(11)17-13-7-5-12(15)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3