(2S)-2-(pentylamino)-2-[2-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: (2S)-2-(pentylamino)-2-[2-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: (2S)-2-(pentylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile CAS Name: (2S)-2-(pentylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: (2S)-2-(pentylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile Traditional Name: (2S)-2-(amylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile Formula: C14H17F3N2 MolecularWeight: 270.29339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(C#N)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCN[C@H](C#N)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C14H17F3N2/c1-2-3-6-9-19-13(10-18)11-7-4-5-8-12(11)14(15,16)17/h4-5,7-8,13,19H,2-3,6,9H2,1H3/t13-/m1/s1