Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O |
InChI | InChI | 1.03 | InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | AGCMTUNUCHFYSQ-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5 |
SMILES | CACTVS | 3.385 | CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C |