Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4CC)=O)cccc5 |
InChI | InChI | 1.03 | InChI=1S/C26H31N7O2/c1-5-33-22-17-27-26(29-24(22)31(3)21-9-7-6-8-19(21)25(33)34)28-20-11-10-18(16-23(20)35-4)32-14-12-30(2)13-15-32/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,28,29) |
InChIKey | InChI | 1.03 | REPCEIPSIPNRSG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4OC)N5CCN(C)CC5)ncc13 |
SMILES | CACTVS | 3.385 | CCN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4OC)N5CCN(C)CC5)ncc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C |