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 |