1-(4-methylbenzotriazol-1-yl)hept-5-yn-1-one

Systemtic Name: 1-(4-methylbenzotriazol-1-yl)hept-5-yn-1-one Openeye Name: 1-(4-methylbenzotriazol-1-yl)hept-5-yn-1-one CAS Name: 1-(4-methyl-1-benzotriazolyl)-5-heptyn-1-one IUPAC Name: 1-(4-methylbenzotriazol-1-yl)hept-5-yn-1-one Traditional Name: 1-(4-methylbenzotriazol-1-yl)hept-5-yn-1-one Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O/c1-3-4-5-6-10-13(18)17-12-9-7-8-11(2)14(12)15-16-17/h7-9H,5-6,10H2,1-2H3