3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(3-bromo-4,5-dimethoxy-benzyl)amino]azepan-2-one Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCCCNC2=O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCCCNC2=O)Br)OC

InChI

InChI=1S/C15H21BrN2O3/c1-20-13-8-10(7-11(16)14(13)21-2)9-18-12-5-3-4-6-17-15(12)19/h7-8,12,18H,3-6,9H2,1-2H3,(H,17,19)