2,2-dimethyl-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propan-1-one Openeye Name: 1-(1-benzyltetrazol-5-yl)-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[1-(phenylmethyl)-5-tetrazolyl]-1-propanone IUPAC Name: 1-(1-benzyltetrazol-5-yl)-2,2-dimethylpropan-1-one Traditional Name: 1-(1-benzyltetrazol-5-yl)-2,2-dimethyl-propan-1-one Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=NN=NN1CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C1=NN=NN1CC2=CC=CC=C2

InChI

InChI=1S/C13H16N4O/c1-13(2,3)11(18)12-14-15-16-17(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3