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

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

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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)C4=CC=CC=C4)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)Cl)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

InChI

InChI=1S/C30H33ClN4O4/c1-19(2)18-39-30(38)24-21(4)32-27(23-13-9-6-10-14-23)33-26(24)29(37)34-15-16-35(20(3)17-34)28(36)25(31)22-11-7-5-8-12-22/h5-14,19-20,25H,15-18H2,1-4H3