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

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-methyl-1-oxobut-2-enyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-2-[[4-(3-methylbut-2-enoyl)piperazino]methyl]pyran-4-one Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O4/c1-16(2)11-22(27)25-9-7-24(8-10-25)13-19-12-20(26)21(15-28-19)29-14-17-3-5-18(23)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3