1-(4-cyclohexylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(4-cyclohexylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-cyclohexylphenyl)propan-1-one dihydrochloride CAS Name: 1-(4-cyclohexylphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-cyclohexylphenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(4-cyclohexylphenyl)propan-1-one dihydrochloride Formula: C26H36Cl2N2O MolecularWeight: 463.48284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C26H34N2O.2ClH/c29-26(25-13-11-24(12-14-25)23-9-5-2-6-10-23)15-16-27-17-19-28(20-18-27)21-22-7-3-1-4-8-22;;/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-21H2;2*1H