A1EWY
Summary
| Name: | (3~{a}~{S},8~{b}~{S})-8~{b}-[(3~{a}~{S},8~{b}~{S})-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indol-8~{b}-yl]-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[2,3-b]indole |
| Synonyms: | Chimonanthine |
| Formula: | C22 H26 N4 |
| Formal charge: | 0 |
| Formula weight: | 346.469 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}~{S})-3-methyl-1,2,3~{a},4-tetrahydropyrrolo[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/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1 |
| InChIKey | InChI | 1.06 | HOYXPMHLHJOGHD-FNAHDJPLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@]2([C@H]1Nc3ccccc23)[C@@]45CCN(C)[C@@H]4Nc6ccccc56 |
| SMILES | CACTVS | 3.385 | CN1CC[C]2([CH]1Nc3ccccc23)[C]45CCN(C)[CH]4Nc6ccccc56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC[C@@]2([C@H]1Nc3c2cccc3)[C@@]45CCN([C@@H]4Nc6c5cccc6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC2(C1Nc3c2cccc3)C45CCN(C4Nc6c5cccc6)C |
