(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-cyano-N-phenethyl-acrylamide Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H17BrN2O2/c1-2-12-26-20-9-8-19(22)14-17(20)13-18(15-23)21(25)24-11-10-16-6-4-3-5-7-16/h1,3-9,13-14H,10-12H2,(H,24,25)/b18-13+