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PDBeChem : Molecule Descriptors
Molecule : NUQ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18) |
2 |
InChIKey
|
InChI |
1.03 |
QXLXUFQMLZRGPI-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F |
|