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

Systemtic Name: N-[3-(4-bromanylphenoxy)-5-nitro-phenyl]-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-[3-(4-bromophenoxy)-5-nitro-phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-[3-(4-bromophenoxy)-5-nitro-phenyl]-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C25H23BrClN5O4 MolecularWeight: 572.83822

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrClN5O4/c26-17-1-3-20(4-2-17)36-21-7-18(6-19(8-21)32(34)35)29-22(33)24-9-15-5-16(10-24)12-25(11-15,13-24)31-14-28-23(27)30-31/h1-4,6-8,14-16H,5,9-13H2,(H,29,33)