Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC[C@@H]1CC[C@H](C#C)N1C(=O)[C@@H](N)C2CCCC2 |
SMILES | CACTVS | 3.341 | NC[CH]1CC[CH](C#C)N1C(=O)[CH](N)C2CCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN |
SMILES | OpenEye OEToolkits | 1.5.0 | C#CC1CCC(N1C(=O)C(C2CCCC2)N)CN |
InChI | InChI | 1.03 | InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1 |
InChIKey | InChI | 1.03 | XYVMJMYCUZCIPB-AVGNSLFASA-N |