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

Systemtic Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-octyl-prop-2-enamide Openeye Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-octyl-prop-2-enamide CAS Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-N-octyl-2-propenamide IUPAC Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-octylprop-2-enamide Traditional Name: 2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-octyl-acrylamide Formula: C24H30IN3O MolecularWeight: 503.41897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30IN3O/c1-4-5-6-7-8-9-14-27-24(29)21(17-26)16-20-15-18(2)28(19(20)3)23-12-10-22(25)11-13-23/h10-13,15-16H,4-9,14H2,1-3H3,(H,27,29)