Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c4ccc(c2c3c(OCC1CCCCC1)cccc3nn2)cc4)C5CCN(C)CC5 |
InChI | InChI | 1.03 | InChI=1S/C26H33N3O2/c1-29-16-14-22(15-17-29)31-21-12-10-20(11-13-21)26-25-23(27-28-26)8-5-9-24(25)30-18-19-6-3-2-4-7-19/h5,8-13,19,22H,2-4,6-7,14-18H2,1H3,(H,27,28) |
InChIKey | InChI | 1.03 | ZXTGHNQQRVHEIZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34 |
SMILES | CACTVS | 3.370 | CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3 |