Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CC(C(C1(N)C)(C)C)Nc2c3n(ncc2C(N)=O)cc(c3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1 |
InChIKey | InChI | 1.03 | DIFGSGNUHRNWPK-GCJKJVERSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(N)CC[C@@H](Nc2c3cc(cn3ncc2C(N)=O)c4ccccc4)C1(C)C |
SMILES | CACTVS | 3.385 | C[C]1(N)CC[CH](Nc2c3cc(cn3ncc2C(N)=O)c4ccccc4)C1(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C |