(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylphenyl)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylphenyl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(o-tolyl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylphenyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylphenyl)acetonitrile Traditional Name: (2S)-2-(o-tolyl)-2-(piperonylamino)acetonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C#N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O2/c1-12-4-2-3-5-14(12)15(9-18)19-10-13-6-7-16-17(8-13)21-11-20-16/h2-8,15,19H,10-11H2,1H3/t15-/m1/s1