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

Systemtic Name: (2E,4E)-5-(6-bromanylpyridin-2-yl)-2-cyano-N-[(1S)-1-phenylpropyl]penta-2,4-dienamide Openeye Name: (2E,4E)-5-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylpropyl]penta-2,4-dienamide CAS Name: (2E,4E)-5-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylpropyl]penta-2,4-dienamide IUPAC Name: (2E,4E)-5-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylpropyl]penta-2,4-dienamide Traditional Name: (2E,4E)-5-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylpropyl]penta-2,4-dienamide Formula: C20H18BrN3O MolecularWeight: 396.28042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O/c1-2-18(15-8-4-3-5-9-15)24-20(25)16(14-22)10-6-11-17-12-7-13-19(21)23-17/h3-13,18H,2H2,1H3,(H,24,25)/b11-6+,16-10+/t18-/m0/s1