6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-methylphenyl)piperazin-2-one

Systemtic Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-methylphenyl)piperazin-2-one Openeye Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-(p-tolyl)piperazin-2-one CAS Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-methylphenyl)-2-piperazinone IUPAC Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-methylphenyl)piperazin-2-one Traditional Name: 6-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-5-(p-tolyl)piperazin-2-one Formula: C21H20F6N2O2 MolecularWeight: 446.386119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(NC(=O)CN2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2C(NC(=O)CN2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O2/c1-12-2-4-14(5-3-12)19-17(29-18(30)9-28-19)11-31-10-13-6-15(20(22,23)24)8-16(7-13)21(25,26)27/h2-8,17,19,28H,9-11H2,1H3,(H,29,30)