2-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]phenyl]acetonitrile CAS Name: 2-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]phenyl]acetonitrile Traditional Name: 2-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]phenyl]acetonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H16N2O2/c1-12(14-4-7-16-17(10-14)21-11-20-16)19-15-5-2-13(3-6-15)8-9-18/h2-7,10,12,19H,8,11H2,1H3