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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-[2-(phenylcarbonyl)phenyl]adamantane-1-carboxamide Openeye Name: N-(2-benzoylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(2-benzoylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-benzoylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(2-benzoylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC=CC=C5C(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=CC=CC=C5C(=O)C6=CC=CC=C6

InChI

InChI=1S/C26H25ClN4O2/c27-24-28-16-31(30-24)26-13-17-10-18(14-26)12-25(11-17,15-26)23(33)29-21-9-5-4-8-20(21)22(32)19-6-2-1-3-7-19/h1-9,16-18H,10-15H2,(H,29,33)