2,2-dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)oct-6-yn-3-one

Systemtic Name: 2,2-dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)oct-6-yn-3-one Openeye Name: 2,2-dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)oct-6-yn-3-one CAS Name: 2,2-dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)-6-octyn-3-one IUPAC Name: 2,2-dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)oct-6-yn-3-one Traditional Name: 2,2-dimethyl-8-phenoxy-4-(1,2,4-triazol-1-yl)oct-6-yn-3-one Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-18(2,3)17(22)16(21-14-19-13-20-21)11-7-8-12-23-15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,11-12H2,1-3H3