methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(trifluoromethyl)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(trifluoromethyl)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(trifluoromethyl)benzoic acid methyl ester Formula: C20H19F3N2O3 MolecularWeight: 392.37167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O3/c1-28-19(27)15-7-8-17(16(13-15)20(21,22)23)24-9-11-25(12-10-24)18(26)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3