Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(C)CCOc1cc2ncn(c2cc1)c4nc3c(cccc3cc4)N5CCC(N)CC5 |
InChI | InChI | 1.03 | InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3 |
InChIKey | InChI | 1.03 | DEEOXSOLTLIWMG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1ccc2n(cnc2c1)c3ccc4cccc(N5CCC(N)CC5)c4n3 |
SMILES | CACTVS | 3.385 | COCCOc1ccc2n(cnc2c1)c3ccc4cccc(N5CCC(N)CC5)c4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N |