3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]azepan-2-one Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O3/c1-20-12-7-9(6-10(15)13(12)18)8-17-11-4-2-3-5-16-14(11)19/h6-7,11,17-18H,2-5,8H2,1H3,(H,16,19)