Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C)C3 |
InChI | InChI | 1.03 | InChI=1S/C16H24N4O2/c1-12-11-19(15(21)14-4-3-7-18(14)2)8-9-20(12)16(22)17-10-13-5-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,17,22)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | XDZATLOJFOESFE-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C |
SMILES | CACTVS | 3.385 | C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C |