A1JDS
Summary
| Name: | (4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline |
| Formula: | C13 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 219.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{R},8~{a}~{R})-5-propyl-1,4,4~{a},6,7,8,8~{a},9-octahydropyrazolo[3,4-g]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | FTSUPYGMFAPCFZ-ZWNOBZJWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |
| SMILES | CACTVS | 3.385 | CCCN1CCC[CH]2Cc3[nH]ncc3C[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1CCC[C@H]2[C@H]1Cc3cn[nH]c3C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1CCCC2C1Cc3cn[nH]c3C2 |
