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

Systemtic Name: (E)-2-cyano-3-[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-N-naphthalen-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-naphthyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-N-(2-naphthalenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-N-naphthalen-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-naphthyl)acrylamide Formula: C27H22IN3O MolecularWeight: 531.38755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=C(C#N)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)/C=C(\C#N)/C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H22IN3O/c1-17-12-25(10-11-26(17)28)31-18(2)13-22(19(31)3)14-23(16-29)27(32)30-24-9-8-20-6-4-5-7-21(20)15-24/h4-15H,1-3H3,(H,30,32)/b23-14+