(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(2-methylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(2-methylpropylamino)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(isobutylamino)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(isobutylamino)acetonitrile Formula: C12H14ClFN2 MolecularWeight: 240.704363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(C#N)C1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)CN[C@H](C#N)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H14ClFN2/c1-8(2)7-16-11(6-15)12-9(13)4-3-5-10(12)14/h3-5,8,11,16H,7H2,1-2H3/t11-/m1/s1