A1CWU
Summary
| Name: | 4-(piperazin-1-yl)benzonitrile |
| Formula: | C11 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 187.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-(piperazin-1-yl)benzonitrile |
| OpenEye OEToolkits | 3.1.0.0 | 4-piperazin-1-ylbenzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#Cc1ccc(cc1)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2 |
| InChIKey | InChI | 1.06 | DJJNYEXRPRQXPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc(cc1)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc(cc1)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C#N)N2CCNCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C#N)N2CCNCC2 |
