(E)-3-(5-bromanyl-2-pentoxy-phenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-pentoxy-phenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-pentoxy-phenyl)-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-pentoxyphenyl)-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-pentoxyphenyl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(2-amoxy-5-bromo-phenyl)-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C21H22BrN3O2/c1-2-3-4-10-27-20-8-7-19(22)12-17(20)11-18(13-23)21(26)25-15-16-6-5-9-24-14-16/h5-9,11-12,14H,2-4,10,15H2,1H3,(H,25,26)/b18-11+