SLJ
Summary
Name: | 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid |
Formula: | C18 H20 N4 O3 |
Formal charge: | 0 |
Formula weight: | 340.376 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24) |
InChIKey | InChI | 1.03 | RVGJIJTWOILHDF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ncccc1CN(C)c2ccc3n[nH]c(C(O)=O)c3c2 |
SMILES | CACTVS | 3.385 | CCCOc1ncccc1CN(C)c2ccc3n[nH]c(C(O)=O)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O |