2,2-dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)heptan-3-ol

Systemtic Name: 2,2-dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)heptan-3-ol Openeye Name: 2,2-dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)heptan-3-ol CAS Name: 2,2-dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)-3-heptanol IUPAC Name: 2,2-dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)heptan-3-ol Traditional Name: 2,2-dimethyl-6-phenyl-4-(1,2,4-triazol-1-yl)heptan-3-ol Formula: C17H25N3O MolecularWeight: 287.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C(C)(C)C)O)N1C=NC=N1)C2=CC=CC=C2

Isomeric SMILES

CC(CC(C(C(C)(C)C)O)N1C=NC=N1)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3O/c1-13(14-8-6-5-7-9-14)10-15(16(21)17(2,3)4)20-12-18-11-19-20/h5-9,11-13,15-16,21H,10H2,1-4H3