Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | IWYJYHUNXVAVAA-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(Cc3cc(F)ccc3C#N)C1=O |
SMILES | CACTVS | 3.385 | CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3cc(F)ccc3C#N)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N |
SMILES | OpenEye OEToolkits | 2.0.5 | CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCCC(C3)N |