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

Systemtic Name: ethyl 5-cyano-6-[4-[(2-methylphenyl)methylcarbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(o-tolylmethylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(2-methylphenyl)methylamino]-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-methylphenyl)methylcarbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(2-methylbenzyl)carbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C23H24F3N5O3 MolecularWeight: 475.46357

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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=CC=C3C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NCC3=CC=CC=C3C)C(F)(F)F

InChI

InChI=1S/C23H24F3N5O3/c1-3-34-21(32)18-12-17(13-27)20(29-19(18)23(24,25)26)30-8-10-31(11-9-30)22(33)28-14-16-7-5-4-6-15(16)2/h4-7,12H,3,8-11,14H2,1-2H3,(H,28,33)