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

Systemtic Name: ethyl 4-[4-[2-(4-fluorophenyl)ethanoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[2-(4-fluorophenyl)acetyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[2-(4-fluorophenyl)-1-oxoethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-fluorophenyl)acetyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-[2-(4-fluorophenyl)acetyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31FN4O4 MolecularWeight: 470.536443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H31FN4O4/c1-5-7-20-22(25(33)34-6-2)23(28-17(4)27-20)24(32)29-12-13-30(16(3)15-29)21(31)14-18-8-10-19(26)11-9-18/h8-11,16H,5-7,12-15H2,1-4H3