(2S)-2-(pentylamino)-2-pyridin-3-yl-ethanenitrile

Systemtic Name: (2S)-2-(pentylamino)-2-pyridin-3-yl-ethanenitrile Openeye Name: (2S)-2-(pentylamino)-2-(3-pyridyl)acetonitrile CAS Name: (2S)-2-(pentylamino)-2-(3-pyridinyl)acetonitrile IUPAC Name: (2S)-2-(pentylamino)-2-pyridin-3-ylacetonitrile Traditional Name: (2S)-2-(amylamino)-2-(3-pyridyl)acetonitrile Formula: C12H17N3 MolecularWeight: 203.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3/c1-2-3-4-8-15-12(9-13)11-6-5-7-14-10-11/h5-7,10,12,15H,2-4,8H2,1H3/t12-/m1/s1