N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C22H25BrN4O3 MolecularWeight: 473.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Br)OC

InChI

InChI=1S/C22H25BrN4O3/c1-29-19-11-17(18(23)12-20(19)30-2)5-8-25-22(28)16-6-9-27(10-7-16)21-4-3-15(13-24)14-26-21/h3-4,11-12,14,16H,5-10H2,1-2H3,(H,25,28)