3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(2-fluoranyl-5-nitro-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(2-fluoranyl-5-nitro-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-fluoro-5-nitro-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-fluoro-5-nitrophenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-fluoro-5-nitrophenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-fluoro-5-nitro-phenyl)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)Cl)C(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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