8K3
Summary
Name: | 3-(2-azanylethyl)-1H-indole-5-carboxamide |
Formula: | C11 H13 N3 O |
Formal charge: | 0 |
Formula weight: | 203.24 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3-(2-azanylethyl)-1~{H}-indole-5-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) |
InChIKey | InChI | 1.03 | WKZLNEWVIAGNAW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCc1c[nH]c2ccc(cc12)C(N)=O |
SMILES | CACTVS | 3.385 | NCCc1c[nH]c2ccc(cc12)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N)c(c[nH]2)CCN |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N)c(c[nH]2)CCN |