1-cyclohexyl-1-oxidanyl-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-one dihydrochloride

Systemtic Name: 1-cyclohexyl-1-oxidanyl-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-cyclohexyl-1-hydroxy-1-phenyl-propan-2-one dihydrochloride CAS Name: 1-cyclohexyl-1-hydroxy-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-cyclohexyl-1-hydroxy-1-phenylpropan-2-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-cyclohexyl-1-hydroxy-1-phenyl-acetone dihydrochloride Formula: C26H36Cl2N2O2 MolecularWeight: 479.48224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC=CC=C4)O.Cl.Cl

InChI

InChI=1S/C26H34N2O2.2ClH/c29-25(21-28-18-16-27(17-19-28)20-22-10-4-1-5-11-22)26(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24;;/h1-2,4-7,10-13,24,30H,3,8-9,14-21H2;2*1H