JP7
Summary
| Name: | (6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one |
| Formula: | C14 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 260.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one |
| OpenEye OEToolkits | 2.0.6 | (1~{R},10~{R})-5-methoxy-8-oxa-12,16-diazatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-2(7),3,5-trien-13-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2N4C(CCN4C3c1ccc(OC)cc1OCC23)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O3/c1-18-10-2-3-11-12(6-10)19-8-9-7-16-13(17)4-5-15(16)14(9)11/h2-3,6,9,14H,4-5,7-8H2,1H3/t9-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | RYDULTLYDAYDHF-LKFCYVNXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[C@H]3[C@H](COc2c1)CN4N3CCC4=O |
| SMILES | CACTVS | 3.385 | COc1ccc2[CH]3[CH](COc2c1)CN4N3CCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)OCC3C2N4CCC(=O)N4C3 |
