(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-oxidanylpiperidin-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(4-oxidanylpiperidin-1-yl)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(4-hydroxy-1-piperidyl)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(4-hydroxy-1-piperidinyl)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(4-hydroxypiperidino)acetonitrile Formula: C13H14ClFN2O MolecularWeight: 268.714463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CN(CCC1O)[C@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H14ClFN2O/c14-10-2-1-3-11(15)13(10)12(8-16)17-6-4-9(18)5-7-17/h1-3,9,12,18H,4-7H2/t12-/m1/s1