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PDBeChem : Molecule Descriptors
Molecule : 5R8
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
AQLZGQUKWNQYPH-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CN1CCCN(CC1)Cc2ccc(CN)cc2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
CN1CCCN(CC1)Cc2ccc(cc2)CN |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CN1CCCN(CC1)Cc2ccc(CN)cc2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
CN1CCCN(CC1)Cc2ccc(cc2)CN |
|