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

Systemtic Name: methyl 4-(4-heptanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-heptanoyl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxoheptyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-heptanoyl-3-methylpiperazine-1-carbonyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-enanthyl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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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)C(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4/c1-6-7-8-12-15-22(33)32-17-16-31(18-20(32)4)27(34)25-23(28(35)36-5)24(19(2)3)29-26(30-25)21-13-10-9-11-14-21/h9-11,13-14,19-20H,6-8,12,15-18H2,1-5H3