tert-butyl 4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23F3N6O4 MolecularWeight: 456.41893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C19H23F3N6O4/c1-18(2,3)32-17(30)27-9-7-26(8-10-27)16(29)12-11-23-28(15(12)19(20,21)22)13-5-6-14(31-4)25-24-13/h5-6,11H,7-10H2,1-4H3