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

Systemtic Name: ethyl 4-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H30F6N4O4 MolecularWeight: 636.584719

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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(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(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C31H30F6N4O4/c1-4-9-23-24(29(44)45-5-2)25(39-26(38-23)19-10-7-6-8-11-19)28(43)40-12-13-41(18(3)17-40)27(42)20-14-21(30(32,33)34)16-22(15-20)31(35,36)37/h6-8,10-11,14-16,18H,4-5,9,12-13,17H2,1-3H3