A1I8O
Summary
| Name: | 5-chloranyl-4-[1-(phenylmethyl)-1,2,3-triazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
| Formula: | C16 H12 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 309.753 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-4-[1-(phenylmethyl)-1,2,3-triazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClN5/c17-13-8-19-16-12(6-7-18-16)15(13)14-10-22(21-20-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19) |
| InChIKey | InChI | 1.06 | QVPAPBNNZKOWAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3cn(Cc4ccccc4)nn3 |
| SMILES | CACTVS | 3.385 | Clc1cnc2[nH]ccc2c1c3cn(Cc4ccccc4)nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2cc(nn2)c3c4cc[nH]c4ncc3Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2cc(nn2)c3c4cc[nH]c4ncc3Cl |
