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

Systemtic Name: ethyl 5-cyano-6-[4-[(phenylmethyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylcarbamoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-[(phenylmethyl)amino]methyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylcarbamoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(benzylcarbamoyl)piperazino]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C22H22F3N5O3 MolecularWeight: 461.43699

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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=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N5O3/c1-2-33-20(31)17-12-16(13-26)19(28-18(17)22(23,24)25)29-8-10-30(11-9-29)21(32)27-14-15-6-4-3-5-7-15/h3-7,12H,2,8-11,14H2,1H3,(H,27,32)