7QF
Summary
| Name: | 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile |
| Formula: | C17 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 279.336 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-5-[3-[(2~{R})-morpholin-2-yl]phenyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | RKLBLNPSMVENJK-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1C#N)c2cccc(c2)[C@@H]3CNCCO3 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)[C@@H]2CNCCO2)c3ccc(c(c3)C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C2CNCCO2)c3ccc(c(c3)C#N)N |
