3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]acrylamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O3/c1-28-19-10-13(9-17(22)20(19)26)8-15(11-23)21(27)24-7-6-14-12-25-18-5-3-2-4-16(14)18/h2-5,8-10,12,25-26H,6-7H2,1H3,(H,24,27)