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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenoxyethanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenoxyacetyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenoxyacetyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(2-phenoxyacetyl)piperazino]methyl]pyran-4-one Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O5/c1-20-12-21(2)14-22(13-20)17-34-26-18-32-24(15-25(26)30)16-28-8-10-29(11-9-28)27(31)19-33-23-6-4-3-5-7-23/h3-7,12-15,18H,8-11,16-17,19H2,1-2H3