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PDBeChem : Molecule Descriptors
Molecule : 6S4
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
DMJXRYSGXCLCFP-LBPRGKRZSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CC(C)(C)NC(=O)[CH]1Cc2ccccc2CN1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)(C)NC(=O)C1Cc2ccccc2CN1 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 |
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