O29
Summary
| Name: | N-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Formula: | C23 H30 F3 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 497.577 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(dimethylamino)ethyl]-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 | N-(2-dimethylaminoethyl)-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)NCCN(C)C)CCCC4 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCNC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14 |
| SMILES | CACTVS | 3.370 | CN(C)CCNC(=O)c1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc4CCCCc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C23H30F3N5O2S/c1-30(2)12-11-27-21(33)19-15-8-4-6-10-17(15)34-22(19)28-18(32)13-31-16-9-5-3-7-14(16)20(29-31)23(24,25)26/h3-13H2,1-2H3,(H,27,33)(H,28,32) |
| InChIKey | InChI | 1.03 | UXUSFGHVYPKOKQ-UHFFFAOYSA-N |
