1-[4-[3-[4-(2-methyl-2-oxidanyl-propanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one

Systemtic Name: 1-[4-[3-[4-(2-methyl-2-oxidanyl-propanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-(2-hydroxy-2-methyl-propanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-(2-hydroxy-2-methyl-1-oxopropyl)-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-(2-hydroxy-2-methyl-propanoyl)piperazino]propoxy]phenyl]hexan-1-one Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(C)(C)O

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(C)(C)O

InChI

InChI=1S/C23H36N2O4/c1-4-5-6-8-21(26)19-9-11-20(12-10-19)29-18-7-13-24-14-16-25(17-15-24)22(27)23(2,3)28/h9-12,28H,4-8,13-18H2,1-3H3