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

Systemtic Name: (E)-3-(4-butoxyphenyl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-acrylamide Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C24H26ClN3O3/c1-2-3-12-31-21-7-4-18(5-8-21)15-19(17-26)24(29)27-22-16-20(25)6-9-23(22)28-10-13-30-14-11-28/h4-9,15-16H,2-3,10-14H2,1H3,(H,27,29)/b19-15+