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

Systemtic Name: ethyl 4-[4-(2-chloranyl-2-phenyl-ethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloro-2-phenyl-acetyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxo-2-phenylethyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloro-2-phenylacetyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-2-phenyl-acetyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H29ClN4O4 MolecularWeight: 521.00726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C(C3=CC=CC=C3)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)C(C3=CC=CC=C3)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C28H29ClN4O4/c1-4-37-28(36)22-24(21-13-9-6-10-14-21)30-19(3)31-25(22)27(35)32-15-16-33(18(2)17-32)26(34)23(29)20-11-7-5-8-12-20/h5-14,18,23H,4,15-17H2,1-3H3