Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)C#N)c(c2)N4CCCCC4 |
SMILES | CACTVS | 3.352 | CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)C#N)c(c2)N4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N |
InChI | InChI | 1.03 | InChI=1S/C22H27N5O2/c1-25-11-13-26(14-12-25)17-5-7-19(20(15-17)27-9-3-2-4-10-27)24-22(28)21-8-6-18(16-23)29-21/h5-8,15H,2-4,9-14H2,1H3,(H,24,28) |
InChIKey | InChI | 1.03 | UUPPIQKPNBIUKY-UHFFFAOYSA-N |