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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-oxomethyl]-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-6-propylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29F3N4O4 MolecularWeight: 506.51737

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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(=CC=C3)C(F)(F)F)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29F3N4O4/c1-5-8-19-20(24(35)36-6-2)21(30-16(4)29-19)23(34)31-11-12-32(15(3)14-31)22(33)17-9-7-10-18(13-17)25(26,27)28/h7,9-10,13,15H,5-6,8,11-12,14H2,1-4H3