N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[6-oxidanylidene-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[6-oxidanylidene-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)-1-pyridazinyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[6-keto-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide Formula: C22H18F3N3O4 MolecularWeight: 445.39123

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)OC1

InChI

InChI=1S/C22H18F3N3O4/c23-22(24,25)16-12-17(14-5-2-1-3-6-14)27-28(21(16)30)13-20(29)26-15-7-8-18-19(11-15)32-10-4-9-31-18/h1-3,5-8,11-12H,4,9-10,13H2,(H,26,29)