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

Systemtic Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]methyl]-5-[(3-fluorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-ethylbutanoyl)piperazino]methyl]-5-(3-fluorobenzyl)oxy-pyran-4-one Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O4/c1-3-18(4-2)23(28)26-10-8-25(9-11-26)14-20-13-21(27)22(16-29-20)30-15-17-6-5-7-19(24)12-17/h5-7,12-13,16,18H,3-4,8-11,14-15H2,1-2H3