1-(1-isoquinolin-7-yl-1,2,3,4-tetrazol-5-yl)ethanone

Systemtic Name: 1-(1-isoquinolin-7-yl-1,2,3,4-tetrazol-5-yl)ethanone Openeye Name: 1-[1-(7-isoquinolyl)tetrazol-5-yl]ethanone CAS Name: 1-[1-(7-isoquinolinyl)-5-tetrazolyl]ethanone IUPAC Name: 1-(1-isoquinolin-7-yltetrazol-5-yl)ethanone Traditional Name: 1-[1-(7-isoquinolyl)tetrazol-5-yl]ethanone Formula: C12H9N5O MolecularWeight: 239.23276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN=NN1C2=CC3=C(C=C2)C=CN=C3

Isomeric SMILES

CC(=O)C1=NN=NN1C2=CC3=C(C=C2)C=CN=C3

InChI

InChI=1S/C12H9N5O/c1-8(18)12-14-15-16-17(12)11-3-2-9-4-5-13-7-10(9)6-11/h2-7H,1H3