(2S)-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)octan-4-one

Systemtic Name: (2S)-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)octan-4-one Openeye Name: (2S)-2-(5-phenyltetrazol-2-yl)octan-4-one CAS Name: (2S)-2-(5-phenyl-2-tetrazolyl)-4-octanone IUPAC Name: (2S)-2-(5-phenyltetrazol-2-yl)octan-4-one Traditional Name: (2S)-2-(5-phenyltetrazol-2-yl)octan-4-one Formula: C15H20N4O MolecularWeight: 272.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(C)N1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)C[C@H](C)N1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4O/c1-3-4-10-14(20)11-12(2)19-17-15(16-18-19)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3/t12-/m0/s1