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

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-piperidin-1-yl-ethanenitrile Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-piperidyl)acetonitrile CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-piperidinyl)acetonitrile IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-piperidin-1-ylacetonitrile Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-piperidino-acetonitrile Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C#N)C2=CC3=C(C(=C2)Br)OCCCO3

Isomeric SMILES

C1CCN(CC1)C(C#N)C2=CC3=C(C(=C2)Br)OCCCO3

InChI

InChI=1S/C16H19BrN2O2/c17-13-9-12(10-15-16(13)21-8-4-7-20-15)14(11-18)19-5-2-1-3-6-19/h9-10,14H,1-8H2