A1H8F
Summary
| Name: | N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide |
| Formula: | C18 H24 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 333.856 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23) |
| InChIKey | InChI | 1.06 | AUJJZIKBHNXABX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23 |
| SMILES | CACTVS | 3.385 | CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)NCCCN1CCc2c3cc(ccc3[nH]c2C1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)NCCCN1CCc2c3cc(ccc3[nH]c2C1)Cl |
