Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)Cc1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)(C)C)CC |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1nc(CC(C)(C)C)c(CN)c(c2ccc(C)cc2)c1CC(O)=O |
SMILES | CACTVS | 3.370 | CCc1nc(CC(C)(C)C)c(CN)c(c2ccc(C)cc2)c1CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26) |
InChIKey | InChI | 1.03 | HQVOROHHYWZJLD-UHFFFAOYSA-N |