N-[2-[1-(2-bromanylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[2-[1-(2-bromanylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[2-[1-(2-bromoallyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[2-[1-(2-bromoprop-2-enyl)-2-benzimidazolyl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[2-[1-(2-bromoallyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCCC2=NC3=CC=CC=C3N2CC(=C)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCCC2=NC3=CC=CC=C3N2CC(=C)Br)OC

InChI

InChI=1S/C22H24BrN3O3/c1-15(23)14-26-18-7-5-4-6-17(18)25-21(26)10-11-24-22(27)13-16-8-9-19(28-2)20(12-16)29-3/h4-9,12H,1,10-11,13-14H2,2-3H3,(H,24,27)