3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanenitrile

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanenitrile Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanenitrile CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanenitrile IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanenitrile Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propionitrile Formula: C13H15ClN2O2 MolecularWeight: 266.7234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2/c14-11-7-10(9-16-4-1-3-15)8-12-13(11)18-6-2-5-17-12/h7-8,16H,1-2,4-6,9H2