Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCN1CCOCC1)c4c3nc2ccccc2c(N)c3ccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1c2ccccc2nc3c(cccc13)C(=O)NCCN4CCOCC4 |
SMILES | CACTVS | 3.341 | Nc1c2ccccc2nc3c(cccc13)C(=O)NCCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N |
InChI | InChI | 1.03 | InChI=1S/C20H22N4O2/c21-18-14-4-1-2-7-17(14)23-19-15(18)5-3-6-16(19)20(25)22-8-9-24-10-12-26-13-11-24/h1-7H,8-13H2,(H2,21,23)(H,22,25) |
InChIKey | InChI | 1.03 | CUJXCTHCYRNLIF-UHFFFAOYSA-N |