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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O4/c1-5-10-19-20(25(33)34-6-2)22(28-17(4)27-19)24(32)29-13-14-30(16(3)15-29)23(31)21(26)18-11-8-7-9-12-18/h7-9,11-12,16,21H,5-6,10,13-15H2,1-4H3