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PDBeChem : Molecule Descriptors
Molecule : UZ3
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22) |
2 |
InChIKey
|
InChI |
1.06 |
LGINOCHKOLUZAO-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N |
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