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

Systemtic Name: (E)-3-(1,3-benzodioxol-4-yl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-4-yl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-4-yl)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-4-yl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-4-yl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-acrylamide Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C(=CC3=C4C(=CC=C3)OCO4)C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)/C(=C/C3=C4C(=CC=C3)OCO4)/C#N

InChI

InChI=1S/C21H18ClN3O4/c22-16-4-5-18(25-6-8-27-9-7-25)17(11-16)24-21(26)15(12-23)10-14-2-1-3-19-20(14)29-13-28-19/h1-5,10-11H,6-9,13H2,(H,24,26)/b15-10+