(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CC4=C(C(=C3)Br)OCO4)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CC4=C(C(=C3)Br)OCO4)/C#N

InChI

InChI=1S/C21H18BrN3O4/c22-18-10-14(11-19-20(18)29-13-28-19)9-15(12-23)21(26)24-16-1-3-17(4-2-16)25-5-7-27-8-6-25/h1-4,9-11H,5-8,13H2,(H,24,26)/b15-9+