N-(3,5-dimethoxyphenyl)-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(3,5-dimethoxyphenyl)-5-nitro-benzamide CAS Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]benzamide IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(3,5-dimethoxyphenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-N-(3,5-dimethoxyphenyl)-5-nitro-benzamide Formula: C28H31N5O6 MolecularWeight: 533.57564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H31N5O6/c1-38-23-14-21(15-24(17-23)39-2)29-28(35)25-16-22(33(36)37)8-9-26(25)30-27(34)19-32-12-10-31(11-13-32)18-20-6-4-3-5-7-20/h3-9,14-17H,10-13,18-19H2,1-2H3,(H,29,35)(H,30,34)