(E)-3-[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylamide Formula: C20H21BrN4O2 MolecularWeight: 429.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C(C#N)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C20H21BrN4O2/c1-13-9-15(10-16(12-22)20(23)26)14(2)25(13)17-3-4-19(18(21)11-17)24-5-7-27-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H2,23,26)/b16-10+