NTG
Summary
| Name: | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile |
| Formula: | C11 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 203.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile |
| OpenEye OEToolkits | 2.0.6 | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2ncc(N1CCCOCC1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2 |
| InChIKey | InChI | 1.03 | QPJKHSFVBDONPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cn1)N2CCCOCC2 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cn1)N2CCCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ncc1N2CCCOCC2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ncc1N2CCCOCC2)C#N |
