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

Systemtic Name: ethyl 4-(4-heptanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-heptanoyl-3-methyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxoheptyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-heptanoyl-3-methylpiperazine-1-carbonyl)-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-enanthyl-3-methyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)CCC)C(=O)OCC

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)CCC)C(=O)OCC

InChI

InChI=1S/C29H40N4O4/c1-5-8-9-13-17-24(34)33-19-18-32(20-21(33)4)28(35)26-25(29(36)37-7-3)23(14-6-2)30-27(31-26)22-15-11-10-12-16-22/h10-12,15-16,21H,5-9,13-14,17-20H2,1-4H3