1-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(5-bromanylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(5-bromanylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(5-bromo-2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-N-(5-bromo-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(5-bromopyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)propanoyl]-N-(5-bromo-2-pyridyl)isonipecotamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Br)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Br)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22BrN3O4/c22-16-3-5-19(23-12-16)24-21(27)15-7-9-25(10-8-15)20(26)6-2-14-1-4-17-18(11-14)29-13-28-17/h1,3-5,11-12,15H,2,6-10,13H2,(H,23,24,27)