JRW
Summary
| Name: | (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one |
| Formula: | C19 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 314.422 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},10~{S})-12-cyclobutyl-5-methyl-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/C19H26N2O2/c1-12(2)18-11-19(23,21(17(18)22)15-5-4-6-15)16-8-7-13(3)9-14(16)10-20-18/h7-9,12,15,20,23H,4-6,10-11H2,1-3H3/t18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | HABACEYDTYGRSK-OALUTQOASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@]12C[C@@](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2 |
| SMILES | CACTVS | 3.385 | CC(C)[C]12C[C](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CNC3(CC2(N(C3=O)C4CCC4)O)C(C)C |
