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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxoheptyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[(4-enanthylpiperazino)methyl]pyran-4-one Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-4-5-6-7-8-26(30)28-11-9-27(10-12-28)17-23-16-24(29)25(19-31-23)32-18-22-14-20(2)13-21(3)15-22/h13-16,19H,4-12,17-18H2,1-3H3