3-bromanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethoxy-benzamide Openeye Name: 3-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethoxy-benzamide CAS Name: 3-bromo-N-[[4-(1-imidazolylmethyl)phenyl]methyl]-2,5-dimethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethoxybenzamide Traditional Name: 3-bromo-N-[4-(imidazol-1-ylmethyl)benzyl]-2,5-dimethoxy-benzamide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=CN=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=CN=C3)OC)Br

InChI

InChI=1S/C20H20BrN3O3/c1-26-16-9-17(19(27-2)18(21)10-16)20(25)23-11-14-3-5-15(6-4-14)12-24-8-7-22-13-24/h3-10,13H,11-12H2,1-2H3,(H,23,25)