(E)-3-(6-bromanylpyridin-2-yl)-2-cyano-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]prop-2-enamide

Systemtic Name: (E)-3-(6-bromanylpyridin-2-yl)-2-cyano-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]prop-2-enamide Openeye Name: (E)-N-[(1S)-1-benzyl-2-hydroxy-ethyl]-3-(6-bromo-2-pyridyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propenamide IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]prop-2-enamide Traditional Name: (E)-N-[(1S)-1-benzyl-2-hydroxy-ethyl]-3-(6-bromo-2-pyridyl)-2-cyano-acrylamide Formula: C18H16BrN3O2 MolecularWeight: 386.24254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2/c19-17-8-4-7-15(21-17)10-14(11-20)18(24)22-16(12-23)9-13-5-2-1-3-6-13/h1-8,10,16,23H,9,12H2,(H,22,24)/b14-10+/t16-/m0/s1