2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 2-(4-piperonylpiperazino)-N-[2-(2-pyridyl)ethyl]propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O3/c1-17(22(27)24-9-7-19-4-2-3-8-23-19)26-12-10-25(11-13-26)15-18-5-6-20-21(14-18)29-16-28-20/h2-6,8,14,17H,7,9-13,15-16H2,1H3,(H,24,27)