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

Systemtic Name: ethyl 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]nicotinic acid ethyl ester Formula: C18H18ClF3N4O2 MolecularWeight: 414.80933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O2/c1-2-28-17(27)12-3-4-15(23-10-12)25-5-7-26(8-6-25)16-14(19)9-13(11-24-16)18(20,21)22/h3-4,9-11H,2,5-8H2,1H3