1-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]hex-5-yn-1-one

Systemtic Name: 1-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]hex-5-yn-1-one Openeye Name: 1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]hex-5-yn-1-one CAS Name: 1-[2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-pyrazolidinyl]-5-hexyn-1-one IUPAC Name: 1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]hex-5-yn-1-one Traditional Name: 1-[2-(benzofurazan-5-carbonyl)pyrazolidin-1-yl]hex-5-yn-1-one Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

C#CCCCC(=O)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C16H16N4O3/c1-2-3-4-6-15(21)19-9-5-10-20(19)16(22)12-7-8-13-14(11-12)18-23-17-13/h1,7-8,11H,3-6,9-10H2