A1EW0
Summary
| Name: | (3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{R})-2,3,3~{a},4-tetrahydro-1~{H}-pyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole |
| Formula: | C21 H24 N4 |
| Formal charge: | 0 |
| Formula weight: | 332.442 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{R})-2,3,3~{a},4-tetrahydro-1~{H}-pyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N4/c1-25-13-11-21(15-7-3-5-9-17(15)24-19(21)25)20-10-12-22-18(20)23-16-8-4-2-6-14(16)20/h2-9,18-19,22-24H,10-13H2,1H3/t18-,19-,20-,21+/m0/s1 |
| InChIKey | InChI | 1.06 | GIJFCQMARBCAJG-XSDIEEQYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@]2([C@H]1Nc3ccccc23)[C@]45CCN[C@H]4Nc6ccccc56 |
| SMILES | CACTVS | 3.385 | CN1CC[C]2([CH]1Nc3ccccc23)[C]45CCN[CH]4Nc6ccccc56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC[C@@]2([C@H]1Nc3c2cccc3)[C@]45CCN[C@H]4Nc6c5cccc6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC2(C1Nc3c2cccc3)C45CCNC4Nc6c5cccc6 |
