5-[(3,5-dimethylphenyl)methoxy]-2-[(4-hexanoylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-hexanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-hexanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxohexyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-hexanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 2-[(4-caproylpiperazino)methyl]-5-(3,5-dimethylbenzyl)oxy-pyran-4-one Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-4-5-6-7-25(29)27-10-8-26(9-11-27)16-22-15-23(28)24(18-30-22)31-17-21-13-19(2)12-20(3)14-21/h12-15,18H,4-11,16-17H2,1-3H3