3-bromanyl-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 2-methyl-4-(1,2,4-triazol-1-yl)octan-3-ol

Systemtic Name: 3-bromanyl-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 2-methyl-4-(1,2,4-triazol-1-yl)octan-3-ol Openeye Name: 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 2-methyl-4-(1,2,4-triazol-1-yl)octan-3-ol CAS Name: 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 2-methyl-4-(1,2,4-triazol-1-yl)-3-octanol IUPAC Name: 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 2-methyl-4-(1,2,4-triazol-1-yl)octan-3-ol Traditional Name: 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 2-methyl-4-(1,2,4-triazol-1-yl)octan-3-ol Formula: C18H26BrN3O2 MolecularWeight: 396.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)C)O)N1C=NC=N1.C1C2=CC(=C(O1)C=C2)Br

Isomeric SMILES

CCCCC(C(C(C)C)O)N1C=NC=N1.C1C2=CC(=C(O1)C=C2)Br

InChI

InChI=1S/C11H21N3O.C7H5BrO/c1-4-5-6-10(11(15)9(2)3)14-8-12-7-13-14;8-6-3-5-1-2-7(6)9-4-5/h7-11,15H,4-6H2,1-3H3;1-3H,4H2