3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Systemtic Name: 3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide Openeye Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide CAS Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide IUPAC Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide Traditional Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]acrylamide Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43)Br

InChI

InChI=1S/C21H16BrN3O3/c22-17-9-20-19(27-12-28-20)8-14(17)7-15(10-23)21(26)24-6-5-13-11-25-18-4-2-1-3-16(13)18/h1-4,7-9,11,25H,5-6,12H2,(H,24,26)