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

Systemtic Name: N-(3-ethynylphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H10F3N5O2 MolecularWeight: 373.28881

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C17H10F3N5O2/c1-2-10-4-3-5-11(8-10)22-16(27)12-9-21-25(15(12)17(18,19)20)13-6-7-14(26)24-23-13/h1,3-9H,(H,22,27)(H,24,26)