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

Systemtic Name: N-(3-ethynylphenyl)-6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: N-(3-ethynylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C21H14F3N3O2 MolecularWeight: 397.34997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H14F3N3O2/c1-3-14-7-6-8-15(12-14)25-20(29)19-18(28)11-13(2)27(26-19)17-10-5-4-9-16(17)21(22,23)24/h1,4-12H,2H3,(H,25,29)