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

Systemtic Name: tert-butyl 4-[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25F3N4O4 MolecularWeight: 466.45351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

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