![Chemical structure of 7-tert-butyl 3-ethyl 5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate, CAS 1251001-31-6](https://api.angenesci.com/structure/996/1251001-31-6.png)
| CAS Number | 1251001-31-6 |
| Catalog Number | AG00HHZ5(AGN-PC-0WG4RI) |
| Chemical Name | 7-tert-butyl 3-ethyl 5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate |
| IUPAC Name | 7-O-tert-butyl 3-O-ethyl 5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate |
| InChI | InChI=1S/C14H22N4O4/c1-5-21-12(19)11-16-15-10-6-7-17(8-9-18(10)11)13(20)22-14(2,3)4/h5-9H2,1-4H3 |
| InChI Key | IOKMKAQXJTXHID-UHFFFAOYSA-N |
| MDL Number | MFCD17017736 |
| Molecular Formula | C14H22N4O4 |
| Molecular Weight | 310.3489 |
| SMILES | CCOC(=O)c1nnc2CCN(CCn12)C(=O)OC(C)(C)C |
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