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

Systemtic Name: methyl 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-6-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C29H29F3N4O4 MolecularWeight: 554.56017

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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)C)C(=O)OC

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)C)C(=O)OC

InChI

InChI=1S/C29H29F3N4O4/c1-17(2)23-22(28(39)40-4)24(34-25(33-23)19-9-6-5-7-10-19)27(38)35-13-14-36(18(3)16-35)26(37)20-11-8-12-21(15-20)29(30,31)32/h5-12,15,17-18H,13-14,16H2,1-4H3