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

Systemtic Name: ethyl 6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-chlorobenzoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(4-chlorobenzoyl)piperazino]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H18ClF3N4O3 MolecularWeight: 466.84083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N4O3/c1-2-32-20(31)16-11-14(12-26)18(27-17(16)21(23,24)25)28-7-9-29(10-8-28)19(30)13-3-5-15(22)6-4-13/h3-6,11H,2,7-10H2,1H3