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

Systemtic Name: 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-(3-cyclopentyl-1-oxopropyl)-1-piperazinyl]methyl]-5-[(3,5-dimethylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(3-cyclopentylpropanoyl)piperazino]methyl]-5-(3,5-dimethylbenzyl)oxy-pyran-4-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCC4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCC4CCCC4)C

InChI

InChI=1S/C27H36N2O4/c1-20-13-21(2)15-23(14-20)18-33-26-19-32-24(16-25(26)30)17-28-9-11-29(12-10-28)27(31)8-7-22-5-3-4-6-22/h13-16,19,22H,3-12,17-18H2,1-2H3