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

Systemtic Name: ethyl 4-[6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H21F3N4O4 MolecularWeight: 438.40035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O4/c1-3-31-19(30)26-9-7-25(8-10-26)18(29)17-16(28)11-13(2)27(24-17)15-6-4-5-14(12-15)20(21,22)23/h4-6,11-12H,3,7-10H2,1-2H3