JRP
Summary
| Name: | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one |
| Synonyms: | (3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one |
| Formula: | C13 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 215.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1 |
| InChIKey | InChI | 1.06 | OZWFNGUWVOXWOF-DVYJOKAKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2[C@@]34OCC[C@@H]3C[C@@H]14 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@]34[C@H](CCO3)C[C@H]4C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C34C(CCO3)CC4C(=O)N2 |
