73F
1-(2-phenylethyl)indole-2,3-dione
Created: | 2016-08-19 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
---|---|
Name | 1-(2-phenylethyl)indole-2,3-dione |
Systematic Name (OpenEye OEToolkits) | 1-(2-phenylethyl)indole-2,3-dione |
Formula | C16 H13 N O2 |
Molecular Weight | 251.28 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C1N(CCc2ccccc2)c3ccccc3C1=O |
SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O |
Canonical SMILES | CACTVS | 3.385 | O=C1N(CCc2ccccc2)c3ccccc3C1=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | XICVNIWRISOITG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
Pharos | CHEMBL3128205 |
PubChem | 1894707 |
ChEMBL | CHEMBL3128205 |