Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cc1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3 |
InChIKey | InChI | 1.03 | GYBXAGDWMCJZJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCCCN1c2ccccc2Oc3ccc(Cl)cc13 |
SMILES | CACTVS | 3.385 | CCN(CC)CCCCN1c2ccccc2Oc3ccc(Cl)cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl |