Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2cc(c1ncccc1)c3cc(ccn23)N4CCOCC4)C |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3 |
InChIKey | InChI | 1.03 | JNCJVBDKESBLNW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1cc(c2ccccn2)c3cc(ccn13)N4CCOCC4 |
SMILES | CACTVS | 3.370 | CC(=O)c1cc(c2ccccn2)c3cc(ccn13)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4 |