5-[(4-fluorophenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(1-oxoheptyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 2-[(4-enanthylpiperazino)methyl]-5-(4-fluorobenzyl)oxy-pyran-4-one Formula: C24H31FN2O4 MolecularWeight: 430.512343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C24H31FN2O4/c1-2-3-4-5-6-24(29)27-13-11-26(12-14-27)16-21-15-22(28)23(18-30-21)31-17-19-7-9-20(25)10-8-19/h7-10,15,18H,2-6,11-14,16-17H2,1H3