N-(4-chloranyl-2-fluoranyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C19H19ClFN5O3 MolecularWeight: 419.837263

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=C(C=C(C=C5)Cl)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C19H19ClFN5O3/c20-13-1-2-15(14(21)4-13)23-16(27)18-5-11-3-12(6-18)8-19(7-11,9-18)25-10-22-17(24-25)26(28)29/h1-2,4,10-12H,3,5-9H2,(H,23,27)