(E)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide CAS Name: (E)-3-[1-(3-bromophenyl)-2-pyrrolyl]-2-cyano-N-[(4-methoxyphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-p-anisyl-acrylamide Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CN2C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=CN2C3=CC(=CC=C3)Br)/C#N

InChI

InChI=1S/C22H18BrN3O2/c1-28-21-9-7-16(8-10-21)15-25-22(27)17(14-24)12-19-6-3-11-26(19)20-5-2-4-18(23)13-20/h2-13H,15H2,1H3,(H,25,27)/b17-12+