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

Systemtic Name: 1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-bromo-2,5-dimethoxy-benzyl)-1,4-diazepane Formula: C14H21BrN2O2 MolecularWeight: 329.23274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCCNCC2)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCCNCC2)OC)Br

InChI

InChI=1S/C14H21BrN2O2/c1-18-13-9-12(15)14(19-2)8-11(13)10-17-6-3-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3