Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)CCc4n(c2c(cc(cc2)c3c(noc3C)C)n4)CCN5CCOCC5)OCCC |
InChI | InChI | 1.03 | InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3 |
InChIKey | InChI | 1.03 | CGWBJJZOKGZCSJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc5C)cc1 |
SMILES | CACTVS | 3.385 | CCCOc1ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc5C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C |