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

Systemtic Name: 2-[[4-(1-benzothiophen-2-ylcarbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(benzothiophene-2-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinyl]methyl]-5-[(4-fluorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(benzothiophene-2-carbonyl)piperazino]methyl]-5-(4-fluorobenzyl)oxy-pyran-4-one Formula: C26H23FN2O4S MolecularWeight: 478.535223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H23FN2O4S/c27-20-7-5-18(6-8-20)16-33-23-17-32-21(14-22(23)30)15-28-9-11-29(12-10-28)26(31)25-13-19-3-1-2-4-24(19)34-25/h1-8,13-14,17H,9-12,15-16H2