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

Systemtic Name: ethyl 5-cyano-6-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(4-ethoxyanilino)-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(p-phenetylcarbamoyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C23H24F3N5O4 MolecularWeight: 491.46297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=C(C=C3C#N)C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=C(C=C3C#N)C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C23H24F3N5O4/c1-3-34-17-7-5-16(6-8-17)28-22(33)31-11-9-30(10-12-31)20-15(14-27)13-18(21(32)35-4-2)19(29-20)23(24,25)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,28,33)