A1AYW
Summary
| Name: | 4-(morpholin-4-yl)benzonitrile |
| Formula: | C11 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 188.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(morpholin-4-yl)benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 4-morpholin-4-ylbenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2 |
| InChIKey | InChI | 1.06 | ZSCUWVQXQDCSRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)N2CCOCC2 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)N2CCOCC2 |
