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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)amino]azepan-2-one Formula: C14H19BrN2O2 MolecularWeight: 327.21686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O2/c1-19-13-6-5-11(15)8-10(13)9-17-12-4-2-3-7-16-14(12)18/h5-6,8,12,17H,2-4,7,9H2,1H3,(H,16,18)