A1ECB
Summary
| Name: | 1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole |
| Formula: | C15 H18 N2 |
| Formal charge: | 0 |
| Formula weight: | 226.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18N2/c1-15(2,3)14-13-11(8-9-16-14)10-6-4-5-7-12(10)17-13/h4-7,17H,8-9H2,1-3H3 |
| InChIKey | InChI | 1.06 | DVKOBRNFRYPBPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C1=NCCc2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C1=NCCc2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C1=NCCc2c1[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C1=NCCc2c1[nH]c3c2cccc3 |
