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

Systemtic Name: ethyl 4-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-chlorobenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chlorobenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chlorobenzoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H27ClN4O4 MolecularWeight: 506.98068

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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)C3=CC=C(C=C3)Cl)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O4/c1-4-36-27(35)22-23(19-8-6-5-7-9-19)29-18(3)30-24(22)26(34)31-14-15-32(17(2)16-31)25(33)20-10-12-21(28)13-11-20/h5-13,17H,4,14-16H2,1-3H3