Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccc2nc(oc2c1)C3CCCCC3)N6CC(N5CCN(c4ncccn4)CC5)C6 |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(N1CC(C1)N2CCN(CC2)c3ncccn3)c4ccc5nc(oc5c4)C6CCCCC6 |
SMILES | CACTVS | 3.370 | O=C(N1CC(C1)N2CCN(CC2)c3ncccn3)c4ccc5nc(oc5c4)C6CCCCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6 |
InChI | InChI | 1.03 | InChI=1S/C25H30N6O2/c32-24(19-7-8-21-22(15-19)33-23(28-21)18-5-2-1-3-6-18)31-16-20(17-31)29-11-13-30(14-12-29)25-26-9-4-10-27-25/h4,7-10,15,18,20H,1-3,5-6,11-14,16-17H2 |
InChIKey | InChI | 1.03 | IABLYMUVWHQTGC-UHFFFAOYSA-N |