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

Systemtic Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(4-pentylphenyl)carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(4-pentylbenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(4-pentylbenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 4-[4-(4-amylbenzoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC

InChI

InChI=1S/C27H36N4O4/c1-6-8-9-10-21-11-13-22(14-12-21)25(32)31-16-15-30(17-18(31)3)26(33)24-23(27(34)35-7-2)19(4)28-20(5)29-24/h11-14,18H,6-10,15-17H2,1-5H3