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

Systemtic Name: (E)-3-[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-methyl-prop-2-enamide Openeye Name: (E)-3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: (E)-3-[1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-methyl-2-propenamide IUPAC Name: (E)-3-[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: (E)-3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-methyl-acrylamide Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2/c1-14-10-16(11-17(13-23)21(27)24-3)15(2)26(14)18-4-5-20(19(22)12-18)25-6-8-28-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,24,27)/b17-11+