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

Systemtic Name: ethyl 4-[5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(3,4-dimethylphenyl)-2-(4-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=CC=C(C=C3)F)C4=CC(=C(C=C4)C)C

Isomeric SMILES

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

InChI

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