A1EGM

(1S,4R)-benzovindiflupyr

Created:	2024-12-02
Last modified:	2026-05-06

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	2
Bond Count	44
Aromatic Bond Count	11

2D diagram of A1EGM

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Chemical Component Summary
Name	(1S,4R)-benzovindiflupyr
Synonyms	SCHEMBL679304
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{R},8~{S})-11-[bis(chloranyl)methylidene]-3-tricyclo[6.2.1.0^{2,7}]undeca-2,4,6-trienyl]-3-[bis(fluoranyl)methyl]-1-methyl-pyrazole-4-carboxamide
Formula	C₁₈ H₁₅ Cl₂ F₂ N₃ O
Molecular Weight	398.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cc(C(=O)Nc2cccc3[CH]4CC[CH](C4=C(Cl)Cl)c23)c(n1)C(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)C(F)F)C(=O)Nc2cccc3c2C4CCC3C4=C(Cl)Cl
Canonical SMILES	CACTVS	3.385	Cn1cc(C(=O)Nc2cccc3[C@@H]4CC[C@@H](C4=C(Cl)Cl)c23)c(n1)C(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)C(F)F)C(=O)Nc2cccc3c2[C@H]4CC[C@@H]3C4=C(Cl)Cl
InChI	InChI	1.06	InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)/t9-,10+/m0/s1
InChIKey	InChI	1.06	CCCGEKHKTPTUHJ-VHSXEESVSA-N

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RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729. RCSB PDB uses resources of the National Energy Research Scientific Computing Center (NERSC), a Department of Energy User Facility.