4-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzonitrile CAS Name: 4-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzonitrile IUPAC Name: 4-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzonitrile Traditional Name: 4-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]benzonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NCC3=CC=C(C=C3)C#N

InChI

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