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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methylamino]acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-fluorobenzyl)amino]acetonitrile Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)NCC3=CC=CC=C3F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C#N)NCC3=CC=CC=C3F

InChI

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