(phenylmethyl) 4-[4-(2-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O4/c1-17-15-31(13-14-32(17)25(33)21-11-7-8-12-22(21)28)26(34)24-23(18(2)29-19(3)30-24)27(35)36-16-20-9-5-4-6-10-20/h4-12,17H,13-16H2,1-3H3