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PDBeChem : Molecule Descriptors
Molecule : 2ZT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2 |
2 |
InChIKey
|
InChI |
1.03 |
XVPLFTQUQMWPKC-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4 |
4 |
SMILES
|
CACTVS |
3.385 |
C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3 |
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