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

Systemtic Name: 4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 4-(6-oxo-3-phenyl-pyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 4-(6-oxo-3-phenyl-1-pyridazinyl)-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 4-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 4-(6-keto-3-phenyl-pyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c22-21(23,24)16-9-4-5-10-18(16)25-19(28)11-6-14-27-20(29)13-12-17(26-27)15-7-2-1-3-8-15/h1-5,7-10,12-13H,6,11,14H2,(H,25,28)