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

Systemtic Name: 3,3-dimethyl-1-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]butan-2-one Openeye Name: 1-[5-(4-isopropylphenyl)tetrazol-2-yl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-(5-p-cumenyltetrazol-2-yl)butan-2-one Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C(C)(C)C

InChI

InChI=1S/C16H22N4O/c1-11(2)12-6-8-13(9-7-12)15-17-19-20(18-15)10-14(21)16(3,4)5/h6-9,11H,10H2,1-5H3