(E)-N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-(4-morpholinophenyl)acrylamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N3CCOCC3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCOCC3)/C#N)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-27-20-7-4-17(13-19(20)22)24-21(26)16(14-23)12-15-2-5-18(6-3-15)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,26)/b16-12+