VJQ
Summary
| Name: | 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one |
| Formula: | C17 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 312.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(~{S})-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1~{H}-1,4-benzodiazepin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O4/c1-19-14(15(23-22)11-7-3-2-4-8-11)16(20)18-13-10-6-5-9-12(13)17(19)21/h2-10,15,18,20,22H,1H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | UBACWKZQZWEXFD-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2ccccc2NC(=C1[C@@H](OO)c3ccccc3)O |
| SMILES | CACTVS | 3.385 | CN1C(=O)c2ccccc2NC(=C1[CH](OO)c3ccccc3)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)c2ccccc2NC(=C1[C@H](c3ccccc3)OO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)c2ccccc2NC(=C1C(c3ccccc3)OO)O |
