(E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-phenyl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-phenyl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CC(=C(C=C3)O)Br)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CC(=C(C=C3)O)Br)/C#N

InChI

InChI=1S/C20H18BrN3O3/c21-18-12-14(1-6-19(18)25)11-15(13-22)20(26)23-16-2-4-17(5-3-16)24-7-9-27-10-8-24/h1-6,11-12,25H,7-10H2,(H,23,26)/b15-11+