Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4ccnc(OC3CN(c1nc2c(cc1)cccc2)C3)c4N5CCC(CC5)CO |
InChI | InChI | 1.03 | InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2 |
InChIKey | InChI | 1.03 | VIXNRMUNIQTMQR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC1CCN(CC1)c2nccnc2OC3CN(C3)c4ccc5ccccc5n4 |
SMILES | CACTVS | 3.385 | OCC1CCN(CC1)c2nccnc2OC3CN(C3)c4ccc5ccccc5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO |