JSB
Summary
| Name: | (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one |
| Formula: | C17 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22N2O2/c1-11(2)16-10-17(21,19(15(16)20)13-7-8-13)14-6-4-3-5-12(14)9-18-16/h3-6,11,13,18,21H,7-10H2,1-2H3/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | JXXKUMYBOLYKNF-IRXDYDNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@]12C[C@@](O)(N(C3CC3)C1=O)c4ccccc4CN2 |
| SMILES | CACTVS | 3.385 | CC(C)[C]12C[C](O)(N(C3CC3)C1=O)c4ccccc4CN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C12CC(c3ccccc3CN1)(N(C2=O)C4CC4)O |
