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

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(ethylamino)ethanenitrile Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(ethylamino)acetonitrile CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(ethylamino)acetonitrile IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(ethylamino)acetonitrile Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(ethylamino)acetonitrile Formula: C13H15BrN2O2 MolecularWeight: 311.1744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O2/c1-2-16-11(8-15)9-6-10(14)13-12(7-9)17-4-3-5-18-13/h6-7,11,16H,2-5H2,1H3