QCL
Summary
| Name: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
| Formula: | C16 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20N2O2/c1-3-11(4-2)10-20-15-8-12(9-19)18-16-13(15)6-5-7-14(16)17/h5-9,11H,3-4,10,17H2,1-2H3 |
| InChIKey | InChI | 1.03 | AQOQCQJUNUSUOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)COc1cc(C=O)nc2c(N)cccc12 |
| SMILES | CACTVS | 3.385 | CCC(CC)COc1cc(C=O)nc2c(N)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCC(CC)COc1cc(nc2c1cccc2N)C=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCC(CC)COc1cc(nc2c1cccc2N)C=O |
