Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCc1ccc(cc1)c2ncc(nc2c4ccc(c3cnnc3)cc4)OCC5CCNCC5 |
InChI | InChI | 1.03 | InChI=1S/C26H28N6O/c27-13-18-1-3-21(4-2-18)25-26(22-7-5-20(6-8-22)23-14-30-31-15-23)32-24(16-29-25)33-17-19-9-11-28-12-10-19/h1-8,14-16,19,28H,9-13,17,27H2,(H,30,31) |
InChIKey | InChI | 1.03 | MYADMJMAENDCBG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)c2ncc(OCC3CCNCC3)nc2c4ccc(cc4)c5c[nH]nc5 |
SMILES | CACTVS | 3.385 | NCc1ccc(cc1)c2ncc(OCC3CCNCC3)nc2c4ccc(cc4)c5c[nH]nc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5 |