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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-methyl-1-oxobutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(2-methylbutanoyl)piperazino]methyl]pyran-4-one Formula: C24H32N2O4 MolecularWeight: 412.52188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-5-19(4)24(28)26-8-6-25(7-9-26)14-21-13-22(27)23(16-29-21)30-15-20-11-17(2)10-18(3)12-20/h10-13,16,19H,5-9,14-15H2,1-4H3