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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C23H24F3N5O4/c1-3-35-21(32)18-12-16(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-15-4-6-17(34-2)7-5-15/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)