2-[[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]propanedinitrile CAS Name: 2-[[1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]malononitrile Formula: C20H19BrN4O MolecularWeight: 411.29506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O/c1-14-9-17(10-16(12-22)13-23)15(2)25(14)18-3-4-20(19(21)11-18)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3