2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethylamine Formula: C11H14BrNO2 MolecularWeight: 272.13836

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CCN)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CCN)Br)OC1

InChI

InChI=1S/C11H14BrNO2/c12-9-6-8(2-3-13)7-10-11(9)15-5-1-4-14-10/h6-7H,1-5,13H2