Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)(C)C)C(CC)=O |
InChI | InChI | 1.03 | InChI=1S/C21H27N3O2/c1-6-18(25)24(17-11-9-16(10-12-17)21(2,3)4)19(20(26)22-5)15-8-7-13-23-14-15/h7-14,19H,6H2,1-5H3,(H,22,26)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | ZEONMUILSPVEHQ-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N([C@@H](C(=O)NC)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCC(=O)N([CH](C(=O)NC)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC |