KDV
Summary
| Name: | quinoline-3-carbonitrile |
| Formula: | C10 H6 N2 |
| Formal charge: | 0 |
| Formula weight: | 154.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | quinoline-3-carbonitrile |
| OpenEye OEToolkits | 2.0.6 | quinoline-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c2cnc1ccccc1c2)#N |
| InChI | InChI | 1.03 | InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H |
| InChIKey | InChI | 1.03 | QZZYYBQGTSGDPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cnc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | N#Cc1cnc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(cn2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc(cn2)C#N |
