Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1c(cc(c(c1)NC)Cl)C(=O)NC2CCN(C2C)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1 |
InChIKey | InChI | 1.03 | KRVOJOCLBAAKSJ-RDTXWAMCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(OC)c(cc1Cl)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C |
SMILES | CACTVS | 3.385 | CNc1cc(OC)c(cc1Cl)C(=O)N[CH]2CCN(Cc3ccccc3)[CH]2C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl |