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

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-2-[(4-hydrocinnamoylpiperazino)methyl]pyran-4-one Formula: C26H27FN2O4 MolecularWeight: 450.501983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)F)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H27FN2O4/c27-22-9-6-21(7-10-22)18-33-25-19-32-23(16-24(25)30)17-28-12-14-29(15-13-28)26(31)11-8-20-4-2-1-3-5-20/h1-7,9-10,16,19H,8,11-15,17-18H2