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

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)ethanenitrile Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetonitrile CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetonitrile IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetonitrile Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetonitrile Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C#N)C1=CC2=C(C(=C1)Br)OCCCO2

Isomeric SMILES

CNC(C#N)C1=CC2=C(C(=C1)Br)OCCCO2

InChI

InChI=1S/C12H13BrN2O2/c1-15-10(7-14)8-5-9(13)12-11(6-8)16-3-2-4-17-12/h5-6,10,15H,2-4H2,1H3