methyl 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]picolinic acid methyl ester Formula: C18H16ClF3N4O3 MolecularWeight: 428.79285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N4O3/c1-29-17(28)14-4-2-3-13(24-14)16(27)26-7-5-25(6-8-26)15-12(19)9-11(10-23-15)18(20,21)22/h2-4,9-10H,5-8H2,1H3