6-methyl-4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-4-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C26H17F3N4O2 MolecularWeight: 474.43399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H17F3N4O2/c1-17-14-23(34)24(32-33(17)22-10-5-7-19(16-22)26(27,28)29)25(35)31-21-9-4-6-18(15-21)11-12-20-8-2-3-13-30-20/h2-10,13-16H,1H3,(H,31,35)