Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc4ccc(CC1c2c(CCN1)c3cc(C)ccc3n2)c(c4OC)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | NJLHHCITDFZZSE-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C[C@@H]2NCCc3c2[nH]c4ccc(C)cc34)c(Cl)c1OC |
SMILES | CACTVS | 3.385 | COc1ccc(C[CH]2NCCc3c2[nH]c4ccc(C)cc34)c(Cl)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1)c3c([nH]2)C(NCC3)Cc4ccc(c(c4Cl)OC)OC |