N15
Summary
| Name: | 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide |
| Formula: | C24 H25 N7 O |
| Formal charge: | 0 |
| Formula weight: | 427.502 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide |
| OpenEye OEToolkits | 1.7.6 | 2-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]pyrazol-1-yl]-N-(3-methylbutyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC(C)C)Cn5ncc(c1ccc2c(c1)nnc2c4nc3ccccc3n4)c5 |
| InChI | InChI | 1.03 | InChI=1S/C24H25N7O/c1-15(2)9-10-25-22(32)14-31-13-17(12-26-31)16-7-8-18-21(11-16)29-30-23(18)24-27-19-5-3-4-6-20(19)28-24/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,32)(H,27,28)(H,29,30) |
| InChIKey | InChI | 1.03 | MBGGBSBQBVZBHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2 |
| SMILES | CACTVS | 3.370 | CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4 |
