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

Systemtic Name: ethyl 5-cyano-6-[4-(phenylcarbonyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-(4-benzoylpiperazin-1-yl)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(4-benzoyl-1-piperazinyl)-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-benzoylpiperazin-1-yl)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(4-benzoylpiperazino)-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O3/c1-2-31-20(30)16-12-15(13-25)18(26-17(16)21(22,23)24)27-8-10-28(11-9-27)19(29)14-6-4-3-5-7-14/h3-7,12H,2,8-11H2,1H3