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

Systemtic Name: 4,4-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 4,4-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 4,4-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 4,4-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 4,4-dimethyl-1-phenoxy-1-(1,2,4-triazol-1-yl)pentan-3-one Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(N1C=NC=N1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CC(N1C=NC=N1)OC2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2/c1-15(2,3)13(19)9-14(18-11-16-10-17-18)20-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3