1-(azepan-1-yl)-2-(4-bromanyl-2-chloranyl-phenoxy)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-bromanyl-2-chloranyl-phenoxy)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-bromo-2-chloro-phenoxy)ethanone CAS Name: 1-(1-azepanyl)-2-(4-bromo-2-chlorophenoxy)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-bromo-2-chlorophenoxy)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-bromo-2-chloro-phenoxy)ethanone Formula: C14H17BrClNO2 MolecularWeight: 346.64728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H17BrClNO2/c15-11-5-6-13(12(16)9-11)19-10-14(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2