2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-5-[(3-nitrophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-fluorophenyl)piperazino]methyl]-5-(3-nitrobenzyl)oxy-pyran-4-one Formula: C23H22FN3O5 MolecularWeight: 439.436283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN3O5/c24-20-6-1-2-7-21(20)26-10-8-25(9-11-26)14-19-13-22(28)23(16-31-19)32-15-17-4-3-5-18(12-17)27(29)30/h1-7,12-13,16H,8-11,14-15H2