Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H30ClN3O3/c22-14-19(26)24-15-16-8-12-25(13-9-16)20(27)21(10-6-17(23)7-11-21)28-18-4-2-1-3-5-18/h1-5,16-17H,6-15,23H2,(H,24,26)/t17-,21- |
InChIKey | InChI | 1.06 | KYZPVSMGBRSVOQ-CYWCHRQTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CC[C@](CC1)(Oc2ccccc2)C(=O)N3CC[C@H](CC3)CNC(=O)CCl |
SMILES | CACTVS | 3.385 | N[CH]1CC[C](CC1)(Oc2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl |