[(1R)-1-phenylethyl] 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: [(1R)-1-phenylethyl] 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [(1R)-1-phenylethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid [(1R)-1-phenylethyl] ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H17F3N2O3/c1-13-11-18(27)19(20(28)29-14(2)15-7-4-3-5-8-15)25-26(13)17-10-6-9-16(12-17)21(22,23)24/h3-12,14H,1-2H3/t14-/m1/s1