R9Q
Summary
| Name: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile |
| Formula: | C17 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2/c1-19-11-16(13-6-4-5-12(9-13)10-18)21-15-8-3-2-7-14(15)17(19)20/h2-9,16H,11H2,1H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | ZONZPYJIOKLBIL-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N |
| SMILES | CACTVS | 3.385 | CN1C[CH](Oc2ccccc2C1=O)c3cccc(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(Oc2ccccc2C1=O)c3cccc(c3)C#N |
