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

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(pentylamino)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(pentylamino)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(pentylamino)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(pentylamino)acetonitrile Traditional Name: (2S)-2-(amylamino)-2-(2-chloro-6-fluoro-phenyl)acetonitrile Formula: C13H16ClFN2 MolecularWeight: 254.730943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClFN2/c1-2-3-4-8-17-12(9-16)13-10(14)6-5-7-11(13)15/h5-7,12,17H,2-4,8H2,1H3/t12-/m1/s1