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

Systemtic Name: 2-methylpropyl 4-[4-(2-chloranyl-2-phenyl-ethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(2-chloro-2-phenyl-acetyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxo-2-phenylethyl)-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-chloro-2-phenylacetyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-2-phenyl-acetyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C25H31ClN4O4 MolecularWeight: 486.99104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O4/c1-15(2)14-34-25(33)20-17(4)27-18(5)28-22(20)24(32)29-11-12-30(16(3)13-29)23(31)21(26)19-9-7-6-8-10-19/h6-10,15-16,21H,11-14H2,1-5H3