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

Systemtic Name: (E)-3-[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cyclopropyl-acrylamide Formula: C23H25BrN4O2 MolecularWeight: 469.3742

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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)NC4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)/C=C(\C#N)/C(=O)NC4CC4

InChI

InChI=1S/C23H25BrN4O2/c1-15-11-17(12-18(14-25)23(29)26-19-3-4-19)16(2)28(15)20-5-6-22(21(24)13-20)27-7-9-30-10-8-27/h5-6,11-13,19H,3-4,7-10H2,1-2H3,(H,26,29)/b18-12+