1-(4-cyclohexylpiperazin-1-yl)-2-[3-(phenylmethyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-2-[3-(phenylmethyl)phenyl]propan-1-one hydrochloride Openeye Name: 2-(3-benzylphenyl)-1-(4-cyclohexylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-2-[3-(phenylmethyl)phenyl]-1-propanone hydrochloride IUPAC Name: 2-(3-benzylphenyl)-1-(4-cyclohexylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 2-(3-benzylphenyl)-1-(4-cyclohexylpiperazino)propan-1-one hydrochloride Formula: C26H35ClN2O MolecularWeight: 427.0219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCC4.Cl

Isomeric SMILES

CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCC4.Cl

InChI

InChI=1S/C26H34N2O.ClH/c1-21(24-12-8-11-23(20-24)19-22-9-4-2-5-10-22)26(29)28-17-15-27(16-18-28)25-13-6-3-7-14-25;/h2,4-5,8-12,20-21,25H,3,6-7,13-19H2,1H3;1H