2-(3-oxidanyl-1-adamantyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3-oxidanyl-1-adamantyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-hydroxy-1-adamantyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-hydroxy-1-adamantyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-hydroxy-1-adamantyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-hydroxy-1-adamantyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]acetamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C22H28N4O2/c27-20(10-21-6-18-5-19(7-21)9-22(28,8-18)13-21)24-11-16-1-3-17(4-2-16)12-26-15-23-14-25-26/h1-4,14-15,18-19,28H,5-13H2,(H,24,27)