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

Systemtic Name: (E)-3-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(2-furylmethyl)prop-2-enamide CAS Name: (E)-3-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-(2-furanylmethyl)-2-propenamide IUPAC Name: (E)-3-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(2-furfuryl)acrylamide Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H20BrN3O2/c1-14-9-19(6-7-21(14)23)26-15(2)10-17(16(26)3)11-18(12-24)22(27)25-13-20-5-4-8-28-20/h4-11H,13H2,1-3H3,(H,25,27)/b18-11+