(E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-N-[(4-fluorophenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-N-[(4-fluorophenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-N-[(4-fluorophenyl)methyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-N-[(4-fluorophenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-N-[(4-fluorophenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-N-(4-fluorobenzyl)acrylamide Formula: C21H20BrFN2O2 MolecularWeight: 431.298103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H20BrFN2O2/c1-2-3-10-27-20-9-6-18(22)12-16(20)11-17(13-24)21(26)25-14-15-4-7-19(23)8-5-15/h4-9,11-12H,2-3,10,14H2,1H3,(H,25,26)/b17-11+