A1ABM
Summary
| Name: | (6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one |
| Formula: | C14 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one |
| OpenEye OEToolkits | 2.0.7 | (1~{S},10~{R})-4-methyl-8-oxa-12,16-diazatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadeca-2,4,6-trien-13-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc2C3N4CCC(=O)N4CC3COc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2O2/c1-9-2-3-12-11(6-9)14-10(8-18-12)7-16-13(17)4-5-15(14)16/h2-3,6,10,14H,4-5,7-8H2,1H3/t10-,14-/m0/s1 |
| InChIKey | InChI | 1.06 | HJFKKRPETMIKDW-HZMBPMFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2OC[C@@H]3CN4N(CCC4=O)[C@@H]3c2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2OC[CH]3CN4N(CCC4=O)[CH]3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[C@@H]3[C@@H](CN4N3CCC4=O)CO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C3C(CN4N3CCC4=O)CO2 |
