actinium; 4-fluoranyl-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-3-oxidanyl-benzamide

Systemtic Name: actinium; 4-fluoranyl-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-3-oxidanyl-benzamide Openeye Name: actinium; 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide CAS Name: actinium; 4-fluoro-3-hydroxy-N-[4-(1-imidazolyl)-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: actinium; 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide Traditional Name: actinium; 4-fluoro-3-hydroxy-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]benzamide Formula: C17H11AcF4N3O2 MolecularWeight: 592.3095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)N3C=CN=C3)C(F)(F)F)O)F.[Ac]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)N3C=CN=C3)C(F)(F)F)O)F.[Ac]

InChI

InChI=1S/C17H11F4N3O2.Ac/c18-13-3-1-10(7-15(13)25)16(26)23-11-2-4-14(24-6-5-22-9-24)12(8-11)17(19,20)21;/h1-9,25H,(H,23,26);