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

Systemtic Name: ethyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,3-dimethylbutanoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC(C)(C)C)C3=CC=CC=C3

InChI

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