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

Systemtic Name: 4,4-dimethyl-1-pyridin-2-yl-1-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 4,4-dimethyl-1-(2-pyridyl)-1-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 4,4-dimethyl-1-(2-pyridinyl)-1-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 4,4-dimethyl-1-pyridin-2-yl-1-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 4,4-dimethyl-1-(2-pyridyl)-1-(1,2,4-triazol-1-yl)pentan-3-one Formula: C14H18N4O MolecularWeight: 258.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(C1=CC=CC=N1)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)CC(C1=CC=CC=N1)N2C=NC=N2

InChI

InChI=1S/C14H18N4O/c1-14(2,3)13(19)8-12(18-10-15-9-17-18)11-6-4-5-7-16-11/h4-7,9-10,12H,8H2,1-3H3