Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O |
InChI | InChI | 1.03 | InChI=1S/C18H25N5O2/c1-15-14-17(21-25-15)20-18(24)19-8-5-9-22-10-12-23(13-11-22)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H2,19,20,21,24) |
InChIKey | InChI | 1.03 | SQDJJFWPLCTNDD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1 |
SMILES | CACTVS | 3.385 | Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 |