U1W
Summary
| Name: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine |
| Formula: | C12 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 201.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3/c1-2-14-10-7-3-5-9-6-4-8-15(11(9)10)12(14)13/h3,5,7,13H,2,4,6,8H2,1H3/b13-12+ |
| InChIKey | InChI | 1.03 | PBCCOMRKDASFBZ-OUKQBFOZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=N)N2CCCc3cccc1c23 |
| SMILES | CACTVS | 3.385 | CCN1C(=N)N2CCCc3cccc1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/N2CCCc3c2c(ccc3)N1CC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2cccc3c2N(C1=N)CCC3 |
