3B1
Summary
| Name: | (2R)-morpholin-4-yl(phenyl)ethanenitrile |
| Formula: | C12 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-morpholin-4-yl(phenyl)ethanenitrile |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-morpholin-4-yl-2-phenyl-ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC(c1ccccc1)N2CCOCC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-9H2/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | MWZPYQLYZXTCLZ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#C[C@H](N1CCOCC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | N#C[CH](N1CCOCC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@H](C#N)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(C#N)N2CCOCC2 |
