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

Systemtic Name: ethyl 5-cyano-6-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[2-(2-thienyl)ethylcarbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-(2-thiophen-2-ylethylamino)methyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[2-(2-thienyl)ethylcarbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H22F3N5O3S MolecularWeight: 481.49129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NCCC3=CC=CS3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NCCC3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O3S/c1-2-32-19(30)16-12-14(13-25)18(27-17(16)21(22,23)24)28-7-9-29(10-8-28)20(31)26-6-5-15-4-3-11-33-15/h3-4,11-12H,2,5-10H2,1H3,(H,26,31)