HRQ
Summary
| Name: | 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide |
| Formula: | C21 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 349.426 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H23N3O2/c1-14-6-8-16(9-7-14)24-11-10-15(13-24)23-21(25)18-12-22-20-17(18)4-3-5-19(20)26-2/h3-9,12,15,22H,10-11,13H2,1-2H3,(H,23,25)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | GMGMKERXGPBQDO-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2c1[nH]cc2C(=O)N[C@H]3CCN(C3)c4ccc(C)cc4 |
| SMILES | CACTVS | 3.385 | COc1cccc2c1[nH]cc2C(=O)N[CH]3CCN(C3)c4ccc(C)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1)N2CCC(C2)NC(=O)c3c[nH]c4c3cccc4OC |
