(2S)-2-(3-methylbutylamino)-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-(3-methylbutylamino)-2-phenyl-ethanenitrile Openeye Name: (2S)-2-(isopentylamino)-2-phenyl-acetonitrile CAS Name: (2S)-2-(3-methylbutylamino)-2-phenylacetonitrile IUPAC Name: (2S)-2-(3-methylbutylamino)-2-phenylacetonitrile Traditional Name: (2S)-2-(isoamylamino)-2-phenyl-acetonitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-11(2)8-9-15-13(10-14)12-6-4-3-5-7-12/h3-7,11,13,15H,8-9H2,1-2H3/t13-/m1/s1