2-(3-bromanyl-1-adamantyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]acetamide Formula: C19H22BrN5O MolecularWeight: 416.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CN=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CN=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C19H22BrN5O/c20-19-6-13-3-14(7-19)5-18(4-13,10-19)8-17(26)24-15-1-2-16(22-9-15)25-12-21-11-23-25/h1-2,9,11-14H,3-8,10H2,(H,24,26)