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

Systemtic Name: (E)-3-(4-acetamidophenyl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(4-acetamidophenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(4-acetamidophenyl)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(4-acetamidophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-acetamidophenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-acrylamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C22H21ClN4O3/c1-15(28)25-19-5-2-16(3-6-19)12-17(14-24)22(29)26-20-13-18(23)4-7-21(20)27-8-10-30-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,25,28)(H,26,29)/b17-12+