(2E,4E)-5-(6-bromanylpyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]penta-2,4-dienamide

Systemtic Name: (2E,4E)-5-(6-bromanylpyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]penta-2,4-dienamide Openeye Name: (2E,4E)-5-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylbutyl]penta-2,4-dienamide CAS Name: (2E,4E)-5-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]penta-2,4-dienamide IUPAC Name: (2E,4E)-5-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]penta-2,4-dienamide Traditional Name: (2E,4E)-5-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylbutyl]penta-2,4-dienamide Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(=CC=CC2=NC(=CC=C2)Br)C#N

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C=C/C2=NC(=CC=C2)Br)/C#N

InChI

InChI=1S/C21H20BrN3O/c1-2-8-19(16-9-4-3-5-10-16)25-21(26)17(15-23)11-6-12-18-13-7-14-20(22)24-18/h3-7,9-14,19H,2,8H2,1H3,(H,25,26)/b12-6+,17-11+/t19-/m0/s1