2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-oxo-pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[3-(3-acetamido-4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-keto-pyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H19F3N4O3 MolecularWeight: 444.40647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C22H19F3N4O3/c1-13-6-7-15(10-19(13)26-14(2)30)18-8-9-21(32)29(28-18)12-20(31)27-17-5-3-4-16(11-17)22(23,24)25/h3-11H,12H2,1-2H3,(H,26,30)(H,27,31)