Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O4CCC(NC(=O)C1C(C)(C)CN(CC1)c2ccc3c(n2)c(ccc3)C)CC4CO |
InChI | InChI | 1.03 | InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1 |
InChIKey | InChI | 1.03 | OLJFTJILJDDJGV-SLFFLAALSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2ccc(nc12)N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3 |
SMILES | CACTVS | 3.385 | Cc1cccc2ccc(nc12)N3CC[CH](C(=O)N[CH]4CCO[CH](CO)C4)C(C)(C)C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cccc2c1nc(cc2)N3CCC(C(C3)(C)C)C(=O)NC4CCOC(C4)CO |