2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]-N-propyl-acetamide Formula: C18H26N4O5 MolecularWeight: 378.42284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H26N4O5/c1-2-3-19-17(23)11-21-6-4-20(5-7-21)10-14-8-16(22(24)25)9-15-12-26-13-27-18(14)15/h8-9H,2-7,10-13H2,1H3,(H,19,23)