O28
Summary
| Name: | 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Formula: | C19 H21 F3 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 426.456 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 2-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)N)CCCC4 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14 |
| SMILES | CACTVS | 3.370 | NC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1 |
| InChI | InChI | 1.03 | InChI=1S/C19H21F3N4O2S/c20-19(21,22)16-10-5-1-3-7-12(10)26(25-16)9-14(27)24-18-15(17(23)28)11-6-2-4-8-13(11)29-18/h1-9H2,(H2,23,28)(H,24,27) |
| InChIKey | InChI | 1.03 | HEUYOAFFVFTPOW-UHFFFAOYSA-N |
