UV1

6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Created:2020-06-02
Last modified:  2020-06-17

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count6
2D diagram of UV1

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Chemical Component Summary

Name6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Systematic Name (OpenEye OEToolkits)6-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
FormulaC11 H13 N O2
Molecular Weight191.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c1NC(CCCc1c(OC)cc2)=O
SMILESCACTVS3.385COc1cccc2NC(=O)CCCc12
SMILESOpenEye OEToolkits2.0.7COc1cccc2c1CCCC(=O)N2
Canonical SMILESCACTVS3.385 COc1cccc2NC(=O)CCCc12
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cccc2c1CCCC(=O)N2
InChIInChI1.03 InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)
InChIKeyInChI1.03 NEMWEYAZCVDHEF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 9942361