1-(benzotriazol-1-yl)-5,5-dimethyl-hexan-3-one

Systemtic Name: 1-(benzotriazol-1-yl)-5,5-dimethyl-hexan-3-one Openeye Name: 1-(benzotriazol-1-yl)-5,5-dimethyl-hexan-3-one CAS Name: 1-(1-benzotriazolyl)-5,5-dimethyl-3-hexanone IUPAC Name: 1-(benzotriazol-1-yl)-5,5-dimethylhexan-3-one Traditional Name: 1-(benzotriazol-1-yl)-5,5-dimethyl-hexan-3-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)CCN1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)(C)CC(=O)CCN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H19N3O/c1-14(2,3)10-11(18)8-9-17-13-7-5-4-6-12(13)15-16-17/h4-7H,8-10H2,1-3H3