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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[oxo-[4-(trifluoromethyl)anilino]methyl]-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H28F3N5O4 MolecularWeight: 555.54823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C)C4=CC=CC=C4

InChI

InChI=1S/C28H28F3N5O4/c1-4-40-26(38)22-23(19-8-6-5-7-9-19)32-18(3)33-24(22)25(37)35-14-15-36(17(2)16-35)27(39)34-21-12-10-20(11-13-21)28(29,30)31/h5-13,17H,4,14-16H2,1-3H3,(H,34,39)