Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc2)C(CC)=O)c3cnccc3 |
InChI | InChI | 1.03 | InChI=1S/C27H32N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h8-18,26H,6-7H2,1-5H3,(H,30,33)/t26-/m1/s1 |
InChIKey | InChI | 1.03 | HPKVUDPRFZVZGF-AREMUKBSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N([C@@H](C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3ccc(nc3)C(C)C |
SMILES | CACTVS | 3.385 | CCC(=O)N([CH](C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3ccc(nc3)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1NC(=O)C(c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C |