(2S)-2-(pentylamino)-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-(pentylamino)-2-phenyl-ethanenitrile Openeye Name: (2S)-2-(pentylamino)-2-phenyl-acetonitrile CAS Name: (2S)-2-(pentylamino)-2-phenylacetonitrile IUPAC Name: (2S)-2-(pentylamino)-2-phenylacetonitrile Traditional Name: (2S)-2-(amylamino)-2-phenyl-acetonitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-2-3-7-10-15-13(11-14)12-8-5-4-6-9-12/h4-6,8-9,13,15H,2-3,7,10H2,1H3/t13-/m1/s1