QWB
Summary
| Name: | 3-(imidazol-1-ylmethyl)-1~{H}-indole |
| Synonyms: | Cpd1 |
| Formula: | C12 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 197.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(imidazol-1-ylmethyl)-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2 |
| InChIKey | InChI | 1.03 | FRADTKAUXQUOIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(n1ccnc1)c2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | C(n1ccnc1)c2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)Cn3ccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)Cn3ccnc3 |
