(Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enamide Openeye Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-iodo-4,5-dimethoxy-phenyl)prop-2-enamide CAS Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-iodo-4,5-dimethoxyphenyl)-2-propenamide IUPAC Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamide Traditional Name: (Z)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-iodo-4,5-dimethoxy-phenyl)acrylamide Formula: C22H20IN3O3 MolecularWeight: 501.31697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NCCC2=CNC3=CC=CC=C32)I)OC

InChI

InChI=1S/C22H20IN3O3/c1-28-20-11-14(10-18(23)21(20)29-2)9-16(12-24)22(27)25-8-7-15-13-26-19-6-4-3-5-17(15)19/h3-6,9-11,13,26H,7-8H2,1-2H3,(H,25,27)/b16-9-