4YT
Summary
| Name: | 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline |
| Formula: | C14 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 241.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline |
| OpenEye OEToolkits | 1.9.2 | 1-ethyl-8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCc1n2c(nn1)cc(c3c2cc(cc3)OC)C |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O/c1-4-13-15-16-14-7-9(2)11-6-5-10(18-3)8-12(11)17(13)14/h5-8H,4H2,1-3H3 |
| InChIKey | InChI | 1.03 | USUCVCYKXJVXOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nnc2cc(C)c3ccc(OC)cc3n12 |
| SMILES | CACTVS | 3.385 | CCc1nnc2cc(C)c3ccc(OC)cc3n12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1nnc2n1c3cc(ccc3c(c2)C)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1nnc2n1c3cc(ccc3c(c2)C)OC |
