5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[[4-(2-ethylbutanoyl)piperazino]methyl]pyran-4-one Formula: C23H29ClN2O4 MolecularWeight: 432.94036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H29ClN2O4/c1-3-17(4-2)23(28)26-11-9-25(10-12-26)14-19-13-21(27)22(16-29-19)30-15-18-7-5-6-8-20(18)24/h5-8,13,16-17H,3-4,9-12,14-15H2,1-2H3