Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C27H32N4O3/c1-30-16-19-11-20(31-9-7-28-8-10-31)5-6-21(19)23-15-29-14-22(24(23)17-30)18-12-25(32-2)27(34-4)26(13-18)33-3/h5-6,11-15,28H,7-10,16-17H2,1-4H3 |
InChIKey | InChI | 1.06 | YNAFROCLXSLUGD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cncc3c2CN(C)Cc4cc(ccc34)N5CCNCC5 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)c2cncc3c2CN(C)Cc4cc(ccc34)N5CCNCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1Cc2cc(ccc2-c3cncc(c3C1)c4cc(c(c(c4)OC)OC)OC)N5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1Cc2cc(ccc2-c3cncc(c3C1)c4cc(c(c(c4)OC)OC)OC)N5CCNCC5 |