(2S)-2-(3-methylbutylamino)-2-pyridin-4-yl-ethanenitrile

Systemtic Name: (2S)-2-(3-methylbutylamino)-2-pyridin-4-yl-ethanenitrile Openeye Name: (2S)-2-(isopentylamino)-2-(4-pyridyl)acetonitrile CAS Name: (2S)-2-(3-methylbutylamino)-2-pyridin-4-ylacetonitrile IUPAC Name: (2S)-2-(3-methylbutylamino)-2-pyridin-4-ylacetonitrile Traditional Name: (2S)-2-(isoamylamino)-2-(4-pyridyl)acetonitrile Formula: C12H17N3 MolecularWeight: 203.28348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C#N)C1=CC=NC=C1

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3/c1-10(2)3-8-15-12(9-13)11-4-6-14-7-5-11/h4-7,10,12,15H,3,8H2,1-2H3/t12-/m1/s1