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

Systemtic Name: ethyl 4-methyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[3-methyl-4-(4-methylbenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[3-methyl-4-(4-methylbenzoyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methyl-4-p-toluoyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H30N4O4/c1-5-36-28(35)23-20(4)29-25(21-9-7-6-8-10-21)30-24(23)27(34)31-15-16-32(19(3)17-31)26(33)22-13-11-18(2)12-14-22/h6-14,19H,5,15-17H2,1-4H3