A1J4B
Summary
| Name: | 8-bromanyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
| Formula: | C11 H11 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 251.122 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-bromanyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2 |
| InChIKey | InChI | 1.06 | QDAJATJOFYZEDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc2c3CCNCc3[nH]c12 |
| SMILES | CACTVS | 3.385 | Brc1cccc2c3CCNCc3[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c3c([nH]c2c(c1)Br)CNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c3c([nH]c2c(c1)Br)CNCC3 |
