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

Systemtic Name: ethyl 4-[3-methyl-4-(2-methylphenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(2-methylbenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(2-methylbenzoyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(3-methyl-4-o-toluoyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C30H34N4O4/c1-5-12-24-25(30(37)38-6-2)26(32-27(31-24)22-14-8-7-9-15-22)29(36)33-17-18-34(21(4)19-33)28(35)23-16-11-10-13-20(23)3/h7-11,13-16,21H,5-6,12,17-19H2,1-4H3