7QR
Summary
| Name: | 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile |
| Formula: | C13 H14 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 247.723 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-chloranyl-3-[(~{Z})-piperidin-3-ylidenemethyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14ClN3/c14-13-10(3-4-12(16)11(13)7-15)6-9-2-1-5-17-8-9/h3-4,6,17H,1-2,5,8,16H2/b9-6- |
| InChIKey | InChI | 1.06 | YOLYWAXWUJIFMT-TWGQIWQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(\C=C/2CCCNC/2)c(Cl)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1ccc(C=C2CCCNC2)c(Cl)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1/C=C\2/CCCNC2)Cl)C#N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1C=C2CCCNC2)Cl)C#N)N |
