3-[4-bromanyl-2-(methylaminomethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[4-bromanyl-2-(methylaminomethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-bromo-2-(methylaminomethyl)phenoxy]azepan-2-one CAS Name: 3-[4-bromo-2-(methylaminomethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-bromo-2-(methylaminomethyl)phenoxy]azepan-2-one Traditional Name: 3-[4-bromo-2-(methylaminomethyl)phenoxy]azepan-2-one Formula: C14H19BrN2O2 MolecularWeight: 327.21686

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)Br)OC2CCCCNC2=O

Isomeric SMILES

CNCC1=C(C=CC(=C1)Br)OC2CCCCNC2=O

InChI

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