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

Systemtic Name: ethyl 4-[3-methyl-4-[4-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H31F3N4O4 MolecularWeight: 568.58675

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C30H31F3N4O4/c1-4-9-23-24(29(40)41-5-2)25(35-26(34-23)20-10-7-6-8-11-20)28(39)36-16-17-37(19(3)18-36)27(38)21-12-14-22(15-13-21)30(31,32)33/h6-8,10-15,19H,4-5,9,16-18H2,1-3H3