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

Systemtic Name: ethyl 5-cyano-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(2-pyridylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-(2-pyridinylmethyl)-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(2-pyridylmethyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C20H20F3N5O2 MolecularWeight: 419.40031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)CC3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)CC3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2/c1-2-30-19(29)16-11-14(12-24)18(26-17(16)20(21,22)23)28-9-7-27(8-10-28)13-15-5-3-4-6-25-15/h3-6,11H,2,7-10,13H2,1H3