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

Systemtic Name: 3-[(5-bromanyl-2-propoxy-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(5-bromo-2-propoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(5-bromo-2-propoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(5-bromo-2-propoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(5-bromo-2-propoxy-benzyl)amino]azepan-2-one Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CNC2CCCCNC2=O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CNC2CCCCNC2=O

InChI

InChI=1S/C16H23BrN2O2/c1-2-9-21-15-7-6-13(17)10-12(15)11-19-14-5-3-4-8-18-16(14)20/h6-7,10,14,19H,2-5,8-9,11H2,1H3,(H,18,20)