2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-one

Systemtic Name: 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-one Openeye Name: 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-one CAS Name: 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)-3-hexanone IUPAC Name: 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-one Traditional Name: 2,2-dimethyl-6-phenoxy-4-(1,2,4-triazol-1-yl)hexan-3-one Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CCOC1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(CCOC1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C16H21N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3