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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClFN2/c1-2-3-7-16-11(8-15)12-9(13)5-4-6-10(12)14/h4-6,11,16H,2-3,7H2,1H3/t11-/m1/s1