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

Systemtic Name: (E)-3-(6-bromanylpyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide Openeye Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide CAS Name: (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylbutyl]-2-propenamide IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide Traditional Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(1S)-1-phenylbutyl]acrylamide Formula: C19H18BrN3O MolecularWeight: 384.26972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1