(E)-3-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(pyridin-4-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-(pyridin-4-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(4-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(pyridin-4-ylmethyl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(pyridin-4-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-(4-pyridylmethyl)acrylamide Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=NC=C2)Br)O

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NCC2=CC=NC=C2)Br)O

InChI

InChI=1S/C17H14BrN3O3/c1-24-16-7-12(14(18)8-15(16)22)6-13(9-19)17(23)21-10-11-2-4-20-5-3-11/h2-8,22H,10H2,1H3,(H,21,23)/b13-6+