(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-phenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-phenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-bromo-phenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]-2-cyano-N-(1-phenylethyl)-2-propenamide IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-bromo-phenyl]-2-cyano-N-(1-phenylethyl)acrylamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)N)Br)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC(=O)N)Br)/C#N

InChI

InChI=1S/C20H18BrN3O3/c1-13(15-5-3-2-4-6-15)24-20(26)16(11-22)9-14-7-8-18(17(21)10-14)27-12-19(23)25/h2-10,13H,12H2,1H3,(H2,23,25)(H,24,26)/b16-9+