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

Systemtic Name: 1-(4-fluorophenyl)-4-[4-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazino]butan-1-one Formula: C23H28FN3O5 MolecularWeight: 445.483923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H28FN3O5/c24-19-5-3-18(4-6-19)23(29)2-1-11-25-12-14-26(15-13-25)16-21(28)17-32-22-9-7-20(8-10-22)27(30)31/h3-10,21,28H,1-2,11-17H2