Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc3cccc(Nc2nc(c1cccnc1)ccn2)c3)c4ccc(cc4)CN5CCN(CC5)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(Nc4nccc(n4)c5cccnc5)c3 |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(Nc4nccc(n4)c5cccnc5)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5 |
InChI | InChI | 1.03 | InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33) |
InChIKey | InChI | 1.03 | JHMBUEWQJDGKGS-UHFFFAOYSA-N |