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 |