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PDBeChem : Molecule Descriptors
Molecule : OFZ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13- |
2 |
InChIKey
|
InChI |
1.03 |
GKPMCHKJTWWYLH-FOPUMGAHSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCNC(=N)NCC1C2CC3CC(C2)CC1C3 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCNC(=N)NCC1C2CC3CC(C2)CC1C3 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCNC(=N)NCC1C2CC3CC(C2)CC1C3 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3 |
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