methyl 4-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-butylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-butylbenzoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-butylbenzoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

InChI

InChI=1S/C27H36N4O4/c1-7-8-9-20-10-12-21(13-11-20)25(32)31-15-14-30(16-18(31)4)26(33)24-22(27(34)35-6)23(17(2)3)28-19(5)29-24/h10-13,17-18H,7-9,14-16H2,1-6H3