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

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)ethanenitrile Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetonitrile CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetonitrile IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetonitrile Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetonitrile Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(C#N)NC3CC3)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(C#N)NC3CC3)Br)OC1

InChI

InChI=1S/C14H15BrN2O2/c15-11-6-9(12(8-16)17-10-2-3-10)7-13-14(11)19-5-1-4-18-13/h6-7,10,12,17H,1-5H2