tert-butyl 4-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(6-oxidanylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-oxo-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(6-keto-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H23F3N4O3 MolecularWeight: 424.41683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N4O3/c1-19(2,3)30-18(29)27-10-8-26(9-11-27)16-6-4-13(12-14(16)20(21,22)23)15-5-7-17(28)25-24-15/h4-7,12H,8-11H2,1-3H3,(H,25,28)