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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-[2-(2-thienyl)acetyl]piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-[2-(2-thienyl)acetyl]piperazino]methyl]pyran-4-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CC4=CC=CS4)C

InChI

InChI=1S/C25H28N2O4S/c1-18-10-19(2)12-20(11-18)16-31-24-17-30-21(13-23(24)28)15-26-5-7-27(8-6-26)25(29)14-22-4-3-9-32-22/h3-4,9-13,17H,5-8,14-16H2,1-2H3