3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanenitrile

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanenitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanenitrile CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanenitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanenitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propionitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCCC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCCC#N)OC1

InChI

InChI=1S/C12H14N2O2/c13-5-1-6-14-10-3-4-11-12(9-10)16-8-2-7-15-11/h3-4,9,14H,1-2,6-8H2