2-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]acetamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5/c27-20(17-31-21-8-4-7-19(13-21)26(29)30)15-24-9-11-25(12-10-24)16-22(28)23-14-18-5-2-1-3-6-18/h1-8,13,20,27H,9-12,14-17H2,(H,23,28)