3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanenitrile

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanenitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanenitrile CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanenitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanenitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propionitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNCCC#N

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNCCC#N

InChI

InChI=1S/C13H16N2O2/c14-6-2-7-15-10-11-4-1-5-12-13(11)17-9-3-8-16-12/h1,4-5,15H,2-3,7-10H2