(2S)-2-bromanyl-N-(4-cyanophenyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-bromanyl-N-(4-cyanophenyl)-3-methyl-butanamide Openeye Name: (2S)-2-bromo-N-(4-cyanophenyl)-3-methyl-butanamide CAS Name: (2S)-2-bromo-N-(4-cyanophenyl)-3-methylbutanamide IUPAC Name: (2S)-2-bromo-N-(4-cyanophenyl)-3-methylbutanamide Traditional Name: (2S)-2-bromo-N-(4-cyanophenyl)-3-methyl-butyramide Formula: C12H13BrN2O MolecularWeight: 281.14842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C#N)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C#N)Br

InChI

InChI=1S/C12H13BrN2O/c1-8(2)11(13)12(16)15-10-5-3-9(7-14)4-6-10/h3-6,8,11H,1-2H3,(H,15,16)/t11-/m0/s1