12B

BENZO[CD]INDOL-2(1H)-ONE

Created:2005-11-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count22
Aromatic Bond Count11
2D diagram of 12B

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Chemical Component Summary

NameBENZO[CD]INDOL-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)n/a
FormulaC11 H7 N O
Molecular Weight169.179
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3c2cccc1cccc(c12)N3
SMILESCACTVS3.341O=C1Nc2cccc3cccc1c23
SMILESOpenEye OEToolkits1.5.0c1cc2cccc3c2c(c1)C(=O)N3
Canonical SMILESCACTVS3.341 O=C1Nc2cccc3cccc1c23
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2cccc3c2c(c1)C(=O)N3
InChIInChI1.03 InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKeyInChI1.03 GPYLCFQEKPUWLD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 67222
ChEMBL CHEMBL217045