(2S)-2-[2,6-bis(fluoranyl)phenyl]-2-piperazin-1-yl-propanenitrile

Systemtic Name: (2S)-2-[2,6-bis(fluoranyl)phenyl]-2-piperazin-1-yl-propanenitrile Openeye Name: (2S)-2-(2,6-difluorophenyl)-2-piperazin-1-yl-propanenitrile CAS Name: (2S)-2-(2,6-difluorophenyl)-2-(1-piperazinyl)propanenitrile IUPAC Name: (2S)-2-(2,6-difluorophenyl)-2-piperazin-1-ylpropanenitrile Traditional Name: (2S)-2-(2,6-difluorophenyl)-2-piperazino-propionitrile Formula: C13H15F2N3 MolecularWeight: 251.275106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=C(C=CC=C1F)F)N2CCNCC2

Isomeric SMILES

C[C@@](C#N)(C1=C(C=CC=C1F)F)N2CCNCC2

InChI

InChI=1S/C13H15F2N3/c1-13(9-16,18-7-5-17-6-8-18)12-10(14)3-2-4-11(12)15/h2-4,17H,5-8H2,1H3/t13-/m1/s1