Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc3cccc2c1nnc(c1C(=O)c23)C4CCCCC4)CN5CCC(CC5)CN |
SMILES_CANONICAL | CACTVS | 3.341 | NCC1CCN(CC1)CC(=O)Nc2cccc3c4n[nH]c(C5CCCCC5)c4C(=O)c23 |
SMILES | CACTVS | 3.341 | NCC1CCN(CC1)CC(=O)Nc2cccc3c4n[nH]c(C5CCCCC5)c4C(=O)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5 |
InChI | InChI | 1.03 | InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28) |
InChIKey | InChI | 1.03 | AITZHKQVQNLKHI-UHFFFAOYSA-N |