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

Systemtic Name: ethyl 4-[4-(2-chloranyl-2-phenyl-ethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloro-2-phenyl-acetyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxo-2-phenylethyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloro-2-phenylacetyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloro-2-phenyl-acetyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H33ClN4O4 MolecularWeight: 549.06042

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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)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C(C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C30H33ClN4O4/c1-4-12-23-24(30(38)39-5-2)26(33-27(32-23)22-15-10-7-11-16-22)29(37)34-17-18-35(20(3)19-34)28(36)25(31)21-13-8-6-9-14-21/h6-11,13-16,20,25H,4-5,12,17-19H2,1-3H3