CQ9
Summary
| Name: | (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione |
| Formula: | C17 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | APLKWZASYUZSBL-WMLDXEAASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2ccccc2NC(=O)[C@@]13O[C@H]3c4ccccc4 |
| SMILES | CACTVS | 3.385 | CN1C(=O)c2ccccc2NC(=O)[C]13O[CH]3c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)c2ccccc2NC(=O)C13C(O3)c4ccccc4 |
