F8I
Summary
| Name: | ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide |
| Formula: | C21 H25 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 395.455 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H25N5O3/c1-21(2,3)25-20(27)15-5-4-14-12-17(15)29-11-10-28-9-7-22-18-6-8-26-19(24-18)16(14)13-23-26/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,24)(H,25,27) |
| InChIKey | InChI | 1.06 | YCFFONJEHNSECY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3 |
| SMILES | CACTVS | 3.385 | CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3 |
