2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-N-[2-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NCC2=CC=CC=C2CN3CCCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NCC2=CC=CC=C2CN3CCCC3)Br)OC

InChI

InChI=1S/C22H27BrN2O3/c1-27-20-11-18(19(23)13-21(20)28-2)12-22(26)24-14-16-7-3-4-8-17(16)15-25-9-5-6-10-25/h3-4,7-8,11,13H,5-6,9-10,12,14-15H2,1-2H3,(H,24,26)