76Z
Summary
| Name: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide |
| Formula: | C17 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 311.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O3/c1-17(2,22)6-5-11-3-4-14-12(9-11)16-19-13(15(18)21)10-20(16)7-8-23-14/h3-4,9-10,22H,7-8H2,1-2H3,(H2,18,21) |
| InChIKey | InChI | 1.03 | CMHKURIYUXPNNR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)C#Cc1ccc2OCCn3cc(nc3c2c1)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)(O)C#Cc1ccc2OCCn3cc(nc3c2c1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O |
