(4-fluorophenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]methanone Formula: C20H22FN3O5 MolecularWeight: 403.404183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O5/c21-16-6-4-15(5-7-16)20(26)23-10-8-22(9-11-23)13-18(25)14-29-19-3-1-2-17(12-19)24(27)28/h1-7,12,18,25H,8-11,13-14H2