P07
Summary
| Name: | 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE |
| Formula: | C20 H18 N6 |
| Formal charge: | 0 |
| Formula weight: | 342.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole (non-preferred name) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)cccc5)CC |
| InChI | InChI | 1.03 | InChI=1S/C20H18N6/c1-3-25-19-15-11-7-5-9-13(15)18-20(26(4-2)24-22-18)16-12-8-6-10-14(16)17(19)21-23-25/h5-12H,3-4H2,1-2H3/b17-14+,18-13+,19-15+,20-16+ |
| InChIKey | InChI | 1.03 | YRZRZRBFIALCLI-MKVCYXFSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12 |
| SMILES | CACTVS | 3.385 | CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5 |
