4TT
Summary
| Name: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n4cc3c(c2c(c1ccccc1n2)CCC3)n4 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3/c1-2-7-12-10(5-1)11-6-3-4-9-8-15-17-13(9)14(11)16-12/h1-2,5,7-8,16H,3-4,6H2,(H,15,17) |
| InChIKey | InChI | 1.03 | HBWXPQZQCDQNND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C1Cc2cn[nH]c2c3[nH]c4ccccc4c3C1 |
| SMILES | CACTVS | 3.370 | C1Cc2cn[nH]c2c3[nH]c4ccccc4c3C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3 |
