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

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

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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)CCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4/c1-6-9-10-12-22-13-15-23(16-14-22)27(34)33-18-17-32(19-20(33)4)28(35)26-25(29(36)37-8-3)24(11-7-2)30-21(5)31-26/h13-16,20H,6-12,17-19H2,1-5H3