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

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-morpholin-4-yl-ethanenitrile Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-morpholino-acetonitrile CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-morpholinyl)acetonitrile IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-morpholin-4-ylacetonitrile Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-morpholino-acetonitrile Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(C#N)N3CCOCC3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(C#N)N3CCOCC3)Cl)OC1

InChI

InChI=1S/C15H17ClN2O3/c16-12-8-11(9-14-15(12)21-5-1-4-20-14)13(10-17)18-2-6-19-7-3-18/h8-9,13H,1-7H2