C4F
Summary
| Name: | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine |
| Formula: | C15 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 238.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine |
| OpenEye OEToolkits | 1.5.0 | 3-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cccc2c1ncc2Cc3cccc(OC)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(Cc2c[nH]c3ncccc23)c1 |
| SMILES | CACTVS | 3.341 | COc1cccc(Cc2c[nH]c3ncccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)Cc2c[nH]c3c2cccn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)Cc2c[nH]c3c2cccn3 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O/c1-18-13-5-2-4-11(9-13)8-12-10-17-15-14(12)6-3-7-16-15/h2-7,9-10H,8H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | GHQCCHWTDLTMJT-UHFFFAOYSA-N |
