710
Summary
| Name: | (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL |
| Formula: | C24 H25 N7 O |
| Formal charge: | 0 |
| Formula weight: | 427.502 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-2H-1,2,3-triazol-4-yl)methanol |
| OpenEye OEToolkits | 1.5.0 | [5-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-2H-1,2,3-triazol-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCc1nnnc1c2cc3c(cc2)c(nn3)c5cc4cc(ccc4n5)CN6CCCCC6 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCc1n[nH]nc1c2ccc3c([nH]nc3c4[nH]c5ccc(CN6CCCCC6)cc5c4)c2 |
| SMILES | CACTVS | 3.341 | OCc1n[nH]nc1c2ccc3c([nH]nc3c4[nH]c5ccc(CN6CCCCC6)cc5c4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO |
| InChI | InChI | 1.03 | InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30) |
| InChIKey | InChI | 1.03 | FNWHPLLNMLOZTL-UHFFFAOYSA-N |
