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

Systemtic Name: 2-[[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]-5-[(4-fluorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(5-bromonicotinoyl)piperazino]methyl]-5-(4-fluorobenzyl)oxy-pyran-4-one Formula: C23H21BrFN3O4 MolecularWeight: 502.332943

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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=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C23H21BrFN3O4/c24-18-9-17(11-26-12-18)23(30)28-7-5-27(6-8-28)13-20-10-21(29)22(15-31-20)32-14-16-1-3-19(25)4-2-16/h1-4,9-12,15H,5-8,13-14H2