ethyl 4-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=CC(=C3)C)C)C4=CC=CC=C4F

InChI

InChI=1S/C25H27FN4O3/c1-4-33-25(32)29-13-11-28(12-14-29)24(31)23-16-21(19-7-5-6-8-20(19)26)27-30(23)22-15-17(2)9-10-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3