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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methyl-propanenitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methyl-propanenitrile CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylpropanenitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylpropanenitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methyl-propionitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC2=C(C=C1)OCCCO2)C#N

Isomeric SMILES

CC(CNC1=CC2=C(C=C1)OCCCO2)C#N

InChI

InChI=1S/C13H16N2O2/c1-10(8-14)9-15-11-3-4-12-13(7-11)17-6-2-5-16-12/h3-4,7,10,15H,2,5-6,9H2,1H3