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6-methyl-4-oxidanylidene-5-phenethyl-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

6-methyl-4-oxidanylidene-5-phenethyl-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name:6-methyl-4-oxidanylidene-5-phenethyl-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
Openeye Name:6-methyl-4-oxo-5-phenethyl-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CAS Name:6-methyl-4-oxo-5-phenethyl-1-[4-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid
IUPAC Name:6-methyl-4-oxo-5-phenethyl-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
Traditional Name:4-keto-6-methyl-5-phenethyl-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
Formula: C21H17F3N2O3
MolecularWeight: 402.36649
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O)CCC3=CC=CC=C3


Isomeric SMILES

CC1=C(C(=O)C(=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)O)CCC3=CC=CC=C3


InChI

InChI=1S/C21H17F3N2O3/c1-13-17(12-7-14-5-3-2-4-6-14)19(27)18(20(28)29)25-26(13)16-10-8-15(9-11-16)21(22,23)24/h2-6,8-11H,7,12H2,1H3,(H,28,29)


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