H09
Summary
| Name: | 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol |
| Formula: | C27 H33 F4 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 507.563 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H33F4N3O2/c1-17-14-20-19-6-3-4-7-22(19)33-25(20)26(34(17)15-27(30,31)16-35)24-18(2)23(9-8-21(24)29)36-13-12-32-11-5-10-28/h3-4,6-9,17,26,32-33,35H,5,10-16H2,1-2H3/t17-,26-/m1/s1 |
| InChIKey | InChI | 1.06 | AJSOGGXGYQZCBL-WGDIFIGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c4c(C)c(OCCNCCCF)ccc4F |
| SMILES | CACTVS | 3.385 | C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(F)(F)CO)c4c(C)c(OCCNCCCF)ccc4F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(c1[C@@H]2c3c(c4ccccc4[nH]3)C[C@H](N2CC(CO)(F)F)C)F)OCCNCCCF |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(c1C2c3c(c4ccccc4[nH]3)CC(N2CC(CO)(F)F)C)F)OCCNCCCF |
