U8T
Summary
| Name: | 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one |
| Formula: | C13 H14 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 296.16 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2 |
| InChIKey | InChI | 1.03 | HTOKNOIQHUEHNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2OC3(CCNCC3)CC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Brc1ccc2OC3(CCNCC3)CC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3 |
