N-(3,4-dimethoxyphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H14F3N5O4 MolecularWeight: 409.31937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)OC

InChI

InChI=1S/C17H14F3N5O4/c1-28-11-4-3-9(7-12(11)29-2)22-16(27)10-8-21-25(15(10)17(18,19)20)13-5-6-14(26)24-23-13/h3-8H,1-2H3,(H,22,27)(H,24,26)