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

Systemtic Name: 2-[[4-(2-cyclopentylethanoyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]methyl]-5-[(3,5-dimethylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-cyclopentylacetyl)piperazino]methyl]-5-(3,5-dimethylbenzyl)oxy-pyran-4-one Formula: C26H34N2O4 MolecularWeight: 438.55916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CC4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CC4CCCC4)C

InChI

InChI=1S/C26H34N2O4/c1-19-11-20(2)13-22(12-19)17-32-25-18-31-23(15-24(25)29)16-27-7-9-28(10-8-27)26(30)14-21-5-3-4-6-21/h11-13,15,18,21H,3-10,14,16-17H2,1-2H3