2-(3-azanyl-1,2-benzoxazol-6-yl)-N-(2-fluoranyl-4-iodanyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-6-yl)-N-(2-fluoranyl-4-iodanyl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-amino-1,2-benzoxazol-6-yl)-N-(2-fluoro-4-iodo-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-(3-amino-1,2-benzoxazol-6-yl)-N-(2-fluoro-4-iodophenyl)-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-(3-amino-1,2-benzoxazol-6-yl)-N-(2-fluoro-4-iodophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-aminoindoxazen-6-yl)-N-(2-fluoro-4-iodo-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C18H10F4IN5O2 MolecularWeight: 531.202383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C(=CC(=N3)C(F)(F)F)C(=O)NC4=C(C=C(C=C4)I)F)ON=C2N

Isomeric SMILES

C1=CC2=C(C=C1N3C(=CC(=N3)C(F)(F)F)C(=O)NC4=C(C=C(C=C4)I)F)ON=C2N

InChI

InChI=1S/C18H10F4IN5O2/c19-11-5-8(23)1-4-12(11)25-17(29)13-7-15(18(20,21)22)26-28(13)9-2-3-10-14(6-9)30-27-16(10)24/h1-7H,(H2,24,27)(H,25,29)