| PDB CCD ID: | 40Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H22 N2 O3 |
| InChI: | InChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24) |
| InChIKey: | CXFXSTHDYJQJAP-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N | | ACDLabs 12.01 | O=C(N)c3cc4OCCc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3 | | CACTVS 3.385 | Cc1c2CCOc3cc(ccc3n2c4CC(C)(C)CC(=O)c14)C(N)=O |
|
| Name: | 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide |
| ChEMBL: | CHEMBL3403716 |
| ZINC: | ZINC000221484007 |
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