BQ2

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Summary

Name:1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone
Formula:C11 H13 N O2
Formal charge:0
Molecular weight:191.226 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
InChIKeyInChI1.03GAWPDYDIDUAIGZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCC(=O)N1CCc2ccccc2C1
SMILESCACTVS3.385OCC(=O)N1CCc2ccccc2C1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)CCN(C2)C(=O)CO
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)CCN(C2)C(=O)CO
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