(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-(piperonylamino)acetonitrile Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13FN2O2/c17-13-4-2-12(3-5-13)14(8-18)19-9-11-1-6-15-16(7-11)21-10-20-15/h1-7,14,19H,9-10H2/t14-/m1/s1