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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)adamantane-1-carboxamide Formula: C25H24ClN5O4 MolecularWeight: 493.94216

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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=CC=C6)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O4/c26-23-27-15-30(29-23)25-12-16-6-17(13-25)11-24(10-16,14-25)22(32)28-18-7-19(31(33)34)9-21(8-18)35-20-4-2-1-3-5-20/h1-5,7-9,15-17H,6,10-14H2,(H,28,32)