Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1cnc(c2cc(OC)c(OC)cc12)N5CCC(Oc4cc3ccccc3cc4)C5 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2ncnc(N3CC[C@H](C3)Oc4ccc5ccccc5c4)c2cc1OC |
SMILES | CACTVS | 3.341 | COc1cc2ncnc(N3CC[CH](C3)Oc4ccc5ccccc5c4)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4ccc5ccccc5c4 |
InChI | InChI | 1.03 | InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | UPTQSRGSSJRBKJ-LJQANCHMSA-N |