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

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methyl-1-oxobutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[[4-(2-methylbutanoyl)piperazino]methyl]pyran-4-one Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c1-3-16(2)22(27)25-10-8-24(9-11-25)13-18-12-20(26)21(15-28-18)29-14-17-6-4-5-7-19(17)23/h4-7,12,15-16H,3,8-11,13-14H2,1-2H3