(E)-N-(4-bromanyl-2-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-2-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(4-bromo-2-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-bromo-2-methylphenyl)-3-(4-butoxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-bromo-2-methylphenyl)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-bromo-2-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-acrylamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H21BrN2O2/c1-3-4-11-26-19-8-5-16(6-9-19)13-17(14-23)21(25)24-20-10-7-18(22)12-15(20)2/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)/b17-13+