ethyl 5-cyano-6-methyl-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazino]nicotinic acid ethyl ester Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N4O3/c1-3-32-21(31)18-12-16(13-26)14(2)27-19(18)28-8-10-29(11-9-28)20(30)15-4-6-17(7-5-15)22(23,24)25/h4-7,12H,3,8-11H2,1-2H3