(4-fluorophenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]methanone Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O5/c21-17-3-1-14(2-4-17)20(25)23-7-5-22(6-8-23)11-15-9-18(24(26)27)10-16-12-28-13-29-19(15)16/h1-4,9-10H,5-8,11-13H2