F0N
Summary
| Name: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one |
| Formula: | C20 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 317.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H19N3O/c24-20-13-7-2-1-6-12(13)18(23-20)17-14-8-3-4-9-15(14)22-19(17)16-10-5-11-21-16/h1-4,6-9,16,18,21-22H,5,10-11H2,(H,23,24)/t16-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | ZSGGJAFOTVJSHX-AEFFLSMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N[C@@H](c2ccccc12)c3c([nH]c4ccccc34)[C@H]5CCCN5 |
| SMILES | CACTVS | 3.385 | O=C1N[CH](c2ccccc12)c3c([nH]c4ccccc34)[CH]5CCCN5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c([nH]2)C3CCCN3)C4c5ccccc5C(=O)N4 |
