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

Systemtic Name: (E)-3-(3-bromophenyl)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(3-bromophenyl)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-acrylamide Formula: C20H17BrClN3O2 MolecularWeight: 446.72488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrClN3O2/c21-16-3-1-2-14(11-16)10-15(13-23)20(26)24-18-12-17(22)4-5-19(18)25-6-8-27-9-7-25/h1-5,10-12H,6-9H2,(H,24,26)/b15-10+