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

Systemtic Name: 3-[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide CAS Name: 3-[1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 3-[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 3-[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(4-fluorophenyl)acrylamide Formula: C26H24BrFN4O2 MolecularWeight: 523.396763

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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)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H24BrFN4O2/c1-17-13-19(14-20(16-29)26(33)30-22-5-3-21(28)4-6-22)18(2)32(17)23-7-8-25(24(27)15-23)31-9-11-34-12-10-31/h3-8,13-15H,9-12H2,1-2H3,(H,30,33)