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

Systemtic Name: N-[2-[1-(2-bromanylprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[1-(2-bromoallyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[1-(2-bromoprop-2-enyl)-2-benzimidazolyl]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[1-(2-bromoallyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxy-benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3/c1-14(22)13-25-17-7-5-4-6-16(17)24-20(25)10-11-23-21(26)15-8-9-18(27-2)19(12-15)28-3/h4-9,12H,1,10-11,13H2,2-3H3,(H,23,26)