58T
Summary
| Name: | 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE |
| Formula: | C17 H19 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 357.364 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O4/c1-18-14-13-15-21-16(20-14)26-8-6-24-5-7-25-12-4-2-3-11(9-12)10-22(15)17(23)19-13/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,18,20,21) |
| InChIKey | InChI | 1.03 | OJHLJXROBUJUPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc2OCCOCCOc3cccc(CN4C(=O)Nc1c4n2)c3 |
| SMILES | CACTVS | 3.385 | CNc1nc2OCCOCCOc3cccc(CN4C(=O)Nc1c4n2)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2 |
