Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NCCc1cc(cc(c12)C3CCCC3)n5c4c(C(=O)CC(C4)(C)C)c(c5)C |
InChI | InChI | 1.03 | InChI=1S/C25H30N2O2/c1-15-14-27(20-12-25(2,3)13-21(28)22(15)20)18-10-17-8-9-26-24(29)23(17)19(11-18)16-6-4-5-7-16/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,26,29) |
InChIKey | InChI | 1.03 | AMWZXPSBURRZMG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(c2CC(C)(C)CC(=O)c12)c3cc4CCNC(=O)c4c(c3)C5CCCC5 |
SMILES | CACTVS | 3.385 | Cc1cn(c2CC(C)(C)CC(=O)c12)c3cc4CCNC(=O)c4c(c3)C5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4 |