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

Systemtic Name: methyl 4-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C25H26F6N4O4 MolecularWeight: 560.488759

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

InChI

InChI=1S/C25H26F6N4O4/c1-12(2)19-18(23(38)39-5)20(33-14(4)32-19)22(37)34-6-7-35(13(3)11-34)21(36)15-8-16(24(26,27)28)10-17(9-15)25(29,30)31/h8-10,12-13H,6-7,11H2,1-5H3