Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c4cc(NC(=O)c3ccc(c(Oc2ccnc1nccc12)c3)C)ccc4CN5CCN(CC)CC5 |
InChI | InChI | 1.03 | InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38) |
InChIKey | InChI | 1.03 | SMPGEBOIKULBCT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F |
SMILES | CACTVS | 3.385 | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C |