N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(2-keto-3-methyl-benzimidazol-1-yl)propionamide Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H24BrN3O4/c1-24-16-6-4-5-7-17(16)25(21(24)27)11-9-20(26)23-10-8-14-12-18(28-2)19(29-3)13-15(14)22/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)