(2S)-2-(4-bromophenyl)-2-(3-methylbutylamino)ethanenitrile

Systemtic Name: (2S)-2-(4-bromophenyl)-2-(3-methylbutylamino)ethanenitrile Openeye Name: (2S)-2-(4-bromophenyl)-2-(isopentylamino)acetonitrile CAS Name: (2S)-2-(4-bromophenyl)-2-(3-methylbutylamino)acetonitrile IUPAC Name: (2S)-2-(4-bromophenyl)-2-(3-methylbutylamino)acetonitrile Traditional Name: (2S)-2-(4-bromophenyl)-2-(isoamylamino)acetonitrile Formula: C13H17BrN2 MolecularWeight: 281.19148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2/c1-10(2)7-8-16-13(9-15)11-3-5-12(14)6-4-11/h3-6,10,13,16H,7-8H2,1-2H3/t13-/m1/s1