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

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-2-[[4-(2-phenylbutanoyl)piperazino]methyl]pyran-4-one Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN2O4/c1-2-24(21-6-4-3-5-7-21)27(32)30-14-12-29(13-15-30)17-23-16-25(31)26(19-33-23)34-18-20-8-10-22(28)11-9-20/h3-11,16,19,24H,2,12-15,17-18H2,1H3