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

Systemtic Name: ethyl 4-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H26F6N4O4 MolecularWeight: 608.531559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H26F6N4O4/c1-4-43-27(42)22-17(3)36-24(18-8-6-5-7-9-18)37-23(22)26(41)38-10-11-39(16(2)15-38)25(40)19-12-20(28(30,31)32)14-21(13-19)29(33,34)35/h5-9,12-14,16H,4,10-11,15H2,1-3H3