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

Systemtic Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-phenyl-prop-2-enamide Openeye Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-phenyl-prop-2-enamide CAS Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-N-phenyl-2-propenamide IUPAC Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylprop-2-enamide Traditional Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-phenyl-acrylamide Formula: C22H18IN3O MolecularWeight: 467.30229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C(C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C(C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H18IN3O/c1-15-12-17(16(2)26(15)21-10-8-19(23)9-11-21)13-18(14-24)22(27)25-20-6-4-3-5-7-20/h3-13H,1-2H3,(H,25,27)