2LW
Summary
| Name: | 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone |
| Formula: | C13 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 248.708 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone |
| OpenEye OEToolkits | 1.7.6 | 1-(8-chloranyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2cc1c3c(nc1cc2)CCN(C(=O)C)C3 |
| InChI | InChI | 1.03 | InChI=1S/C13H13ClN2O/c1-8(17)16-5-4-13-11(7-16)10-6-9(14)2-3-12(10)15-13/h2-3,6,15H,4-5,7H2,1H3 |
| InChIKey | InChI | 1.03 | SHHTZAIHGFNPTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1 |
