1-[5-bromanyl-2-(chloromethyl)phenyl]-4-methyl-1,4-diazepane

Systemtic Name: 1-[5-bromanyl-2-(chloromethyl)phenyl]-4-methyl-1,4-diazepane Openeye Name: 1-[5-bromo-2-(chloromethyl)phenyl]-4-methyl-1,4-diazepane CAS Name: 1-[5-bromo-2-(chloromethyl)phenyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[5-bromo-2-(chloromethyl)phenyl]-4-methyl-1,4-diazepane Traditional Name: 1-[5-bromo-2-(chloromethyl)phenyl]-4-methyl-1,4-diazepane Formula: C13H18BrClN2 MolecularWeight: 317.65242

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=CC(=C2)Br)CCl

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=CC(=C2)Br)CCl

InChI

InChI=1S/C13H18BrClN2/c1-16-5-2-6-17(8-7-16)13-9-12(14)4-3-11(13)10-15/h3-4,9H,2,5-8,10H2,1H3