2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(6-nitro-3-pyridyl)piperazino]-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C21H27N5O6 MolecularWeight: 445.46898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O6/c1-30-17-10-15(11-18(31-2)21(17)32-3)12-23-20(27)14-24-6-8-25(9-7-24)16-4-5-19(22-13-16)26(28)29/h4-5,10-11,13H,6-9,12,14H2,1-3H3,(H,23,27)