N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H14F3N5O4 MolecularWeight: 421.33007

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F)OC1

InChI

InChI=1S/C18H14F3N5O4/c19-18(20,21)16-11(9-22-26(16)14-4-5-15(27)25-24-14)17(28)23-10-2-3-12-13(8-10)30-7-1-6-29-12/h2-5,8-9H,1,6-7H2,(H,23,28)(H,25,27)