3-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Systemtic Name: 3-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 3-(2-bromo-5-ethoxy-4-propoxy-phenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide CAS Name: 3-(2-bromo-5-ethoxy-4-propoxyphenyl)-2-cyano-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 3-(2-bromo-5-ethoxy-4-propoxyphenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 3-(2-bromo-5-ethoxy-4-propoxy-phenyl)-2-cyano-N-(4-fluorophenyl)acrylamide Formula: C21H20BrFN2O3 MolecularWeight: 447.297503

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C21H20BrFN2O3/c1-3-9-28-20-12-18(22)14(11-19(20)27-4-2)10-15(13-24)21(26)25-17-7-5-16(23)6-8-17/h5-8,10-12H,3-4,9H2,1-2H3,(H,25,26)