3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-5-pyridin-4-yl-1H-pyridin-2-one

Systemtic Name: 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-5-pyridin-4-yl-1H-pyridin-2-one Openeye Name: 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]-1-piperidyl]methyl]-5-(4-pyridyl)-1H-pyridin-2-one CAS Name: 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]-1-piperidinyl]methyl]-5-pyridin-4-yl-1H-pyridin-2-one IUPAC Name: 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-5-pyridin-4-yl-1H-pyridin-2-one Traditional Name: 3-[[4-[2-(1,3-benzodioxol-4-yl)ethyl]piperidino]methyl]-5-(4-pyridyl)-2-pyridone Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=C3C(=CC=C2)OCO3)CC4=CC(=CNC4=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CCC2=C3C(=CC=C2)OCO3)CC4=CC(=CNC4=O)C5=CC=NC=C5

InChI

InChI=1S/C25H27N3O3/c29-25-22(14-21(15-27-25)19-6-10-26-11-7-19)16-28-12-8-18(9-13-28)4-5-20-2-1-3-23-24(20)31-17-30-23/h1-3,6-7,10-11,14-15,18H,4-5,8-9,12-13,16-17H2,(H,27,29)