methyl 6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]picolinic acid methyl ester Formula: C18H17F3N4O3 MolecularWeight: 394.34779

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3/c1-28-17(27)14-4-2-3-13(23-14)16(26)25-9-7-24(8-10-25)15-6-5-12(11-22-15)18(19,20)21/h2-6,11H,7-10H2,1H3