NLL
Summary
| Name: | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
| Formula: | C16 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 280.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N4O/c17-8-11-1-3-12(4-2-11)10-20-6-5-13-7-14(15(18)21)9-19-16(13)20/h1-7,9H,8,10,17H2,(H2,18,21) |
| InChIKey | InChI | 1.06 | MIOHMKDSCXKJEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1 |
| SMILES | CACTVS | 3.385 | NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN)Cn2ccc3c2ncc(c3)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN)Cn2ccc3c2ncc(c3)C(=O)N |
