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

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-tris(fluoranyl)propan-1-amine Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-propan-1-amine CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-1-propanamine IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoropropan-1-amine Traditional Name: [1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3,3,3-trifluoro-propyl]amine Formula: C12H13BrF3NO2 MolecularWeight: 340.13633

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(CC(F)(F)F)N)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(CC(F)(F)F)N)Br)OC1

InChI

InChI=1S/C12H13BrF3NO2/c13-8-5-11-10(18-2-1-3-19-11)4-7(8)9(17)6-12(14,15)16/h4-5,9H,1-3,6,17H2