Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC |
InChI | InChI | 1.03 | InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1 |
InChIKey | InChI | 1.03 | UCJCNZJAAQBBMU-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N([C@@H](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on3)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on3)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC |