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PDBeChem : Molecule Descriptors
Molecule : T34
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18) |
2 |
InChIKey
|
InChI |
1.03 |
PZBARTUEWCQNSN-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Cc1ccc(cc1NCc2ccccc2)C(=O)NO |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1ccc(cc1NCc2ccccc2)C(=O)NO |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1ccc(cc1NCc2ccccc2)C(=O)NO |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1ccc(cc1NCc2ccccc2)C(=O)NO |
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