5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-cyclopentylethanoyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-cyclopentylethanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-cyclopentylacetyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(2-cyclopentylacetyl)piperazino]methyl]pyran-4-one Formula: C28H38N2O4 MolecularWeight: 466.61232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O4/c1-28(2,3)23-10-8-22(9-11-23)19-34-26-20-33-24(17-25(26)31)18-29-12-14-30(15-13-29)27(32)16-21-6-4-5-7-21/h8-11,17,20-21H,4-7,12-16,18-19H2,1-3H3