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

Systemtic Name: (E)-3-(6-bromanylpyridin-2-yl)-2-cyano-N-[(1S)-1-cyclobutyl-2-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-cyclobutyl-2-phenyl-ethyl]prop-2-enamide CAS Name: (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-cyclobutyl-2-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-cyclobutyl-2-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-cyclobutyl-2-phenyl-ethyl]acrylamide Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(CC2=CC=CC=C2)NC(=O)C(=CC3=NC(=CC=C3)Br)C#N

Isomeric SMILES

C1CC(C1)[C@H](CC2=CC=CC=C2)NC(=O)/C(=C/C3=NC(=CC=C3)Br)/C#N

InChI

InChI=1S/C21H20BrN3O/c22-20-11-5-10-18(24-20)13-17(14-23)21(26)25-19(16-8-4-9-16)12-15-6-2-1-3-7-15/h1-3,5-7,10-11,13,16,19H,4,8-9,12H2,(H,25,26)/b17-13+/t19-/m0/s1