Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1CCCC1)C4C(N)CN(C(=O)c2nc3c(nc2)cccc3)C4 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1CN(C[C@H]1C(=O)N2CCCC2)C(=O)c3cnc4ccccc4n3 |
SMILES | CACTVS | 3.341 | N[CH]1CN(C[CH]1C(=O)N2CCCC2)C(=O)c3cnc4ccccc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncc(n2)C(=O)N3CC(C(C3)N)C(=O)N4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1 |
InChIKey | InChI | 1.03 | XDSKICAQKGYYJF-OLZOCXBDSA-N |