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

Systemtic Name: propan-2-yl 4-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H28F6N4O4 MolecularWeight: 622.558139

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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)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H28F6N4O4/c1-16(2)44-28(43)23-18(4)37-25(19-8-6-5-7-9-19)38-24(23)27(42)39-10-11-40(17(3)15-39)26(41)20-12-21(29(31,32)33)14-22(13-20)30(34,35)36/h5-9,12-14,16-17H,10-11,15H2,1-4H3