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

Systemtic Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(3-methoxypropyl)acrylamide Formula: C20H22IN3O2 MolecularWeight: 463.31205

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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)NCCCOC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=C(\C#N)/C(=O)NCCCOC

InChI

InChI=1S/C20H22IN3O2/c1-14-11-16(12-17(13-22)20(25)23-9-4-10-26-3)15(2)24(14)19-7-5-18(21)6-8-19/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,25)/b17-12+