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

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-acrylamide Formula: C21H17BrClN3O4 MolecularWeight: 490.73438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrClN3O4/c22-16-8-13(9-19-20(16)30-12-29-19)7-14(11-24)21(27)25-17-10-15(23)1-2-18(17)26-3-5-28-6-4-26/h1-2,7-10H,3-6,12H2,(H,25,27)/b14-7+