(2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methylamino]ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methylamino]ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(p-tolylmethylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methylamino]acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methylamino]acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzyl)amino]acetonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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