tert-butyl 4-[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25F3N4O4 MolecularWeight: 466.45351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N4O4/c1-14-12-17(30)18(26-29(14)16-7-5-6-15(13-16)22(23,24)25)19(31)27-8-10-28(11-9-27)20(32)33-21(2,3)4/h5-7,12-13H,8-11H2,1-4H3