CGJ

1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine

Created:2017-08-31
Last modified:  2017-10-11

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count28
Aromatic Bond Count11
2D diagram of CGJ

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Chemical Component Summary

Name1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
Systematic Name (OpenEye OEToolkits)1-methyl-4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
FormulaC11 H11 N3 O
Molecular Weight201.225
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2OCc1nnc(n1c3c2cccc3)C
SMILESCACTVS3.385Cc1nnc2COCc3ccccc3n12
SMILESOpenEye OEToolkits2.0.6Cc1nnc2n1-c3ccccc3COC2
Canonical SMILESCACTVS3.385 Cc1nnc2COCc3ccccc3n12
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1nnc2n1-c3ccccc3COC2
InChIInChI1.03 InChI=1S/C11H11N3O/c1-8-12-13-11-7-15-6-9-4-2-3-5-10(9)14(8)11/h2-5H,6-7H2,1H3
InChIKeyInChI1.03 HEEIZXCFEVISIX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 58923143