6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-piperazin-2-one hydrochloride

Systemtic Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-piperazin-2-one hydrochloride Openeye Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-piperazin-2-one hydrochloride CAS Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-2-piperazinone hydrochloride IUPAC Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenylpiperazin-2-one hydrochloride Traditional Name: 6-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-5-phenyl-piperazin-2-one hydrochloride Formula: C20H19ClF6N2O2 MolecularWeight: 468.820479

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(C(N1)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl

Isomeric SMILES

C1C(=O)NC(C(N1)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl

InChI

InChI=1S/C20H18F6N2O2.ClH/c21-19(22,23)14-6-12(7-15(8-14)20(24,25)26)10-30-11-16-18(27-9-17(29)28-16)13-4-2-1-3-5-13;/h1-8,16,18,27H,9-11H2,(H,28,29);1H