A1JZP
Summary
| Name: | (3~{S})-4-(oxan-4-ylcarbonyl)-~{N}-oxidanyl-3-phenyl-3,5-dihydro-2~{H}-1,4-benzoxazepine-8-carboxamide |
| Formula: | C22 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 396.436 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-4-(oxan-4-ylcarbonyl)-~{N}-oxidanyl-3-phenyl-3,5-dihydro-2~{H}-1,4-benzoxazepine-8-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H24N2O5/c25-21(23-27)17-6-7-18-13-24(22(26)16-8-10-28-11-9-16)19(14-29-20(18)12-17)15-4-2-1-3-5-15/h1-7,12,16,19,27H,8-11,13-14H2,(H,23,25)/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | UOVVKLUQSRHTNN-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1ccc2CN([C@H](COc2c1)c3ccccc3)C(=O)C4CCOCC4 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1ccc2CN([CH](COc2c1)c3ccccc3)C(=O)C4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2COc3cc(ccc3CN2C(=O)C4CCOCC4)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2COc3cc(ccc3CN2C(=O)C4CCOCC4)C(=O)NO |
