Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc2nc(N)n(c2cc1)CCCC(=O)N(C3CCCCC3)C |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C1CCCCC1)C(=O)CCCn2c(N)nc3cc(Cl)ccc23 |
SMILES | CACTVS | 3.370 | CN(C1CCCCC1)C(=O)CCCn2c(N)nc3cc(Cl)ccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21) |
InChIKey | InChI | 1.03 | UIWHCBCBZBYNDS-UHFFFAOYSA-N |