2-(4-bromanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-bromophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(4-bromophenoxy)-N-homoveratryl-nicotinamide Formula: C22H21BrN2O4 MolecularWeight: 457.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H21BrN2O4/c1-27-19-10-5-15(14-20(19)28-2)11-13-24-21(26)18-4-3-12-25-22(18)29-17-8-6-16(23)7-9-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)