ZUW

1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one

Created:2023-07-05
Last modified:  2023-07-26

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count6
2D diagram of ZUW

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Chemical Component Summary

Name1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one
Systematic Name (OpenEye OEToolkits)1-(3,5-dihydro-2~{H}-1,4-benzoxazepin-4-yl)ethanone
FormulaC11 H13 N O2
Molecular Weight191.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=O)N1Cc2ccccc2OCC1
SMILESCACTVS3.385CC(=O)N1CCOc2ccccc2C1
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCOc2ccccc2C1
Canonical SMILESCACTVS3.385 CC(=O)N1CCOc2ccccc2C1
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)N1CCOc2ccccc2C1
InChIInChI1.06 InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3
InChIKeyInChI1.06 SCYVZWVJHDZYSQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 18352685