2-methylpropyl 4-[4-(2,2-diphenylethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-[4-(2,2-diphenylethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(2,2-diphenylacetyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2,2-diphenylacetyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,2-diphenylacetyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C(=NC(=N4)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C(=NC(=N4)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C31H36N4O4/c1-20(2)19-39-31(38)26-22(4)32-23(5)33-28(26)30(37)34-16-17-35(21(3)18-34)29(36)27(24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,20-21,27H,16-19H2,1-5H3