Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5 |
InChI | InChI | 1.03 | InChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3 |
InChIKey | InChI | 1.03 | LBUBPCSKFDKKFO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5 |
SMILES | CACTVS | 3.385 | CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5 |