1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-tris(fluoranyl)-N-methyl-propan-1-amine

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-tris(fluoranyl)-N-methyl-propan-1-amine Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-N-methyl-propan-1-amine CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-N-methyl-1-propanamine IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-N-methylpropan-1-amine Traditional Name: [1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-propyl]-methyl-amine Formula: C13H15BrF3NO2 MolecularWeight: 354.16291

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(F)(F)F)C1=CC2=C(C=C1Br)OCCCO2

Isomeric SMILES

CNC(CC(F)(F)F)C1=CC2=C(C=C1Br)OCCCO2

InChI

InChI=1S/C13H15BrF3NO2/c1-18-10(7-13(15,16)17)8-5-11-12(6-9(8)14)20-4-2-3-19-11/h5-6,10,18H,2-4,7H2,1H3