RQB
Summary
| Name: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Formula: | C17 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 297.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| OpenEye OEToolkits | 2.0.7 | (3~{S},8~{a}~{S})-3-[(1-methylindol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1cc(CC2NC(=O)C3CCCN3C2=O)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H19N3O2/c1-19-10-11(12-5-2-3-6-14(12)19)9-13-17(22)20-8-4-7-15(20)16(21)18-13/h2-3,5-6,10,13,15H,4,7-9H2,1H3,(H,18,21)/t13-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | MAIUHPJZIUPKLB-ZFWWWQNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c4ccccc14 |
| SMILES | CACTVS | 3.385 | Cn1cc(C[CH]2NC(=O)[CH]3CCCN3C2=O)c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c2c1cccc2)CC3C(=O)N4CCCC4C(=O)N3 |
