73F

1-(2-phenylethyl)indole-2,3-dione

Created: 2016-08-19
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count12
2D diagram of 73F

Chemical Component Summary

Name1-(2-phenylethyl)indole-2,3-dione
Systematic Name (OpenEye OEToolkits)1-(2-phenylethyl)indole-2,3-dione
FormulaC16 H13 N O2
Molecular Weight251.28
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=C1N(CCc2ccccc2)c3ccccc3C1=O
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O
Canonical SMILESCACTVS3.385 O=C1N(CCc2ccccc2)c3ccccc3C1=O
Canonical SMILESOpenEye OEToolkits2.0.5 c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O
InChIInChI1.03 InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyInChI1.03 XICVNIWRISOITG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3128205
PubChem 1894707
ChEMBL CHEMBL3128205