1-(benzotriazol-1-yl)hept-5-yn-1-one

Systemtic Name: 1-(benzotriazol-1-yl)hept-5-yn-1-one Openeye Name: 1-(benzotriazol-1-yl)hept-5-yn-1-one CAS Name: 1-(1-benzotriazolyl)-5-heptyn-1-one IUPAC Name: 1-(benzotriazol-1-yl)hept-5-yn-1-one Traditional Name: 1-(benzotriazol-1-yl)hept-5-yn-1-one Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCC(=O)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC#CCCCC(=O)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H13N3O/c1-2-3-4-5-10-13(17)16-12-9-7-6-8-11(12)14-15-16/h6-9H,4-5,10H2,1H3