(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(3-methoxypropylamino)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(3-methoxypropylamino)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(3-methoxypropylamino)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(3-methoxypropylamino)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(3-methoxypropylamino)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(3-methoxypropylamino)acetonitrile Formula: C12H14ClFN2O MolecularWeight: 256.703763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClFN2O/c1-17-7-3-6-16-11(8-15)12-9(13)4-2-5-10(12)14/h2,4-5,11,16H,3,6-7H2,1H3/t11-/m1/s1