2-[(4-pent-4-enoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one

Systemtic Name: 2-[(4-pent-4-enoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one Openeye Name: 2-[(4-pent-4-enoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one CAS Name: 2-[[4-(1-oxopent-4-enyl)-1-piperazinyl]methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]-4-pyranone IUPAC Name: 2-[(4-pent-4-enoylpiperazin-1-yl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one Traditional Name: 2-[(4-pent-4-enoylpiperazino)methyl]-5-[4-(trifluoromethyl)benzyl]oxy-pyran-4-one Formula: C23H25F3N2O4 MolecularWeight: 450.45081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25F3N2O4/c1-2-3-4-22(30)28-11-9-27(10-12-28)14-19-13-20(29)21(16-31-19)32-15-17-5-7-18(8-6-17)23(24,25)26/h2,5-8,13,16H,1,3-4,9-12,14-15H2