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

Systemtic Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide Openeye Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenamide IUPAC Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide Traditional Name: 2-cyano-N-(3-ethoxypropyl)-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C21H24IN3O2 MolecularWeight: 477.33863

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)I)C)C#N

Isomeric SMILES

CCOCCCNC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)I)C)C#N

InChI

InChI=1S/C21H24IN3O2/c1-4-27-11-5-10-24-21(26)18(14-23)13-17-12-15(2)25(16(17)3)20-8-6-19(22)7-9-20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,26)