ethyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25F3N4O4 MolecularWeight: 478.46421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H25F3N4O4/c1-5-34-22(33)18-14(3)27-15(4)28-19(18)21(32)29-9-10-30(13(2)12-29)20(31)16-7-6-8-17(11-16)23(24,25)26/h6-8,11,13H,5,9-10,12H2,1-4H3