Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(C1CCCCC1)C)CCc2cc3ccccc3nc2N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N |
SMILES | CACTVS | 3.370 | CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N |
SMILES | OpenEye OEToolkits | 1.7.2 | CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N |
InChI | InChI | 1.03 | InChI=1S/C19H25N3O/c1-22(16-8-3-2-4-9-16)18(23)12-11-15-13-14-7-5-6-10-17(14)21-19(15)20/h5-7,10,13,16H,2-4,8-9,11-12H2,1H3,(H2,20,21) |
InChIKey | InChI | 1.03 | GRFOHUBBUMAJMM-UHFFFAOYSA-N |