WN0
Summary
| Name: | 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole |
| Formula: | C17 H21 N5 |
| Formal charge: | 0 |
| Formula weight: | 295.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole |
| OpenEye OEToolkits | 2.0.7 | 5-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21) |
| InChIKey | InChI | 1.06 | QEVXJPWIJNREIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCCc2c(CC1)n(CCc3[nH]nnn3)c4ccccc24 |
| SMILES | CACTVS | 3.385 | C1CCCc2c(CC1)n(CCc3[nH]nnn3)c4ccccc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c(n2CCc4[nH]nnn4)CCCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c(n2CCc4[nH]nnn4)CCCCCC3 |
