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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]carbonyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[oxo-[4-(trifluoromethyl)anilino]methyl]-1-piperazinyl]-oxomethyl]-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]-6-propylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30F3N5O4 MolecularWeight: 521.53201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C25H30F3N5O4/c1-5-7-19-20(23(35)37-6-2)21(30-16(4)29-19)22(34)32-12-13-33(15(3)14-32)24(36)31-18-10-8-17(9-11-18)25(26,27)28/h8-11,15H,5-7,12-14H2,1-4H3,(H,31,36)