tert-butyl 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27FN4O3/c1-14-18(15(2)26(23-14)17-8-6-16(22)7-9-17)19(27)24-10-12-25(13-11-24)20(28)29-21(3,4)5/h6-9H,10-13H2,1-5H3