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

Systemtic Name: prop-2-enyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C29H27F3N4O4 MolecularWeight: 552.54429

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

InChI

InChI=1S/C29H27F3N4O4/c1-4-15-40-28(39)23-19(3)33-25(20-9-6-5-7-10-20)34-24(23)27(38)35-13-14-36(18(2)17-35)26(37)21-11-8-12-22(16-21)29(30,31)32/h4-12,16,18H,1,13-15,17H2,2-3H3