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8-Chloro-1-methyl-6-phenyl(1-¹¹C)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

ChemSpider ID: 397085
Molecular Formula: C₁₆¹¹CH₁₃ClN₄
Average mass: 307.765991 Da
Monoisotopic mass: 307.093994 Da
Systematic name

8-Chloro-1-methyl-6-phenyl(1-¹¹C)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SMILES and InChIs

SMILES:

Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl Copied

Std. InChI:

InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3/i11-1 Copied

Std. InChIKey:

VREFGVBLTWBCJP-KXMUYVCJSA-N Copied
Cite this record
CSID:397085, http://www.chemspider.com/Chemical-Structure.397085.html (accessed 20:48, May 25, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

MOLI001359 [DBID]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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