3-cyclohexyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-cyclohexyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]propan-1-one Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CCC(C(C2)O)N3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CC[C@H]([C@@H](C2)O)N3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H41N3O2/c30-25-21-29(26(31)12-11-22-7-3-1-4-8-22)16-14-24(25)28-19-17-27(18-20-28)15-13-23-9-5-2-6-10-23/h2,5-6,9-10,22,24-25,30H,1,3-4,7-8,11-21H2/t24-,25-/m1/s1