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

Systemtic Name: ethyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H27F3N4O4 MolecularWeight: 540.53359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C28H27F3N4O4/c1-4-39-27(38)22-18(3)32-24(19-9-6-5-7-10-19)33-23(22)26(37)34-13-14-35(17(2)16-34)25(36)20-11-8-12-21(15-20)28(29,30)31/h5-12,15,17H,4,13-14,16H2,1-3H3