JGG
Summary
| Name: | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide |
| Formula: | C13 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 245.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-cyanophenyl)methyl]morpholine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2 |
| InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17) |
| InChIKey | InChI | 1.03 | ZXWAHHRBFVCEAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc(cc1)C#N)N2CCOCC2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccc(cc1)C#N)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC(=O)N2CCOCC2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNC(=O)N2CCOCC2)C#N |
