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PDBeChem : Molecule Descriptors
Molecule : 7M9
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C21H14N2O/c24-19-12-11-14-6-1-2-7-15(14)20(19)21-18-10-5-13-23(18)17-9-4-3-8-16(17)22-21/h1-13,24H |
2 |
InChIKey
|
InChI |
1.03 |
IESKGGHNIDBTKX-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Oc1ccc2ccccc2c1c3nc4ccccc4n5cccc35 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O |
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