OW9
Summary
| Name: | 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile |
| Formula: | C16 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 261.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3 |
| InChIKey | InChI | 1.06 | TZVOWHPCVPGQMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C(=O)n2cc(C#N)c3cnccc23 |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)n2cc(C#N)c3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)C(=O)n2cc(c3c2ccnc3)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)C(=O)n2cc(c3c2ccnc3)C#N |
