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PDBeChem : Molecule Descriptors
Molecule : L12
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2 |
2 |
InChIKey
|
InChI |
1.03 |
UUEYCHLWAOBOHG-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
n1ccc(cc1)CCc3c2ccccc2nc3 |
4 |
SMILES
|
CACTVS |
3.341 |
C(Cc1c[nH]c2ccccc12)c3ccncc3 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c[nH]2)CCc3ccncc3 |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
C(Cc1c[nH]c2ccccc12)c3ccncc3 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c[nH]2)CCc3ccncc3 |
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