methyl 4-(4-pyridin-2-ylcarbonylpiperazin-1-yl)-3-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-(4-pyridin-2-ylcarbonylpiperazin-1-yl)-3-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate CAS Name: 4-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-3-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-(trifluoromethyl)benzoate Traditional Name: 4-(4-picolinoylpiperazino)-3-(trifluoromethyl)benzoic acid methyl ester Formula: C19H18F3N3O3 MolecularWeight: 393.35973

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O3/c1-28-18(27)13-5-6-16(14(12-13)19(20,21)22)24-8-10-25(11-9-24)17(26)15-4-2-3-7-23-15/h2-7,12H,8-11H2,1H3