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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-[3-(4-fluoranylphenoxy)-5-nitro-phenyl]adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitro-phenyl]adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitro-phenyl]adamantane-1-carboxamide Formula: C25H23ClFN5O4 MolecularWeight: 511.932623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=CC(=C5)OC6=CC=C(C=C6)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC(=CC(=C5)OC6=CC=C(C=C6)F)[N+](=O)[O-]

InChI

InChI=1S/C25H23ClFN5O4/c26-23-28-14-31(30-23)25-11-15-5-16(12-25)10-24(9-15,13-25)22(33)29-18-6-19(32(34)35)8-21(7-18)36-20-3-1-17(27)2-4-20/h1-4,6-8,14-16H,5,9-13H2,(H,29,33)