RXJ
Summary
| Name: | 4-(4-methylpiperazin-1-yl)benzonitrile |
| Formula: | C12 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 201.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methylpiperazin-1-yl)benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 4-(4-methylpiperazin-1-yl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(c1ccc(cc1)C#N)CCN(CC2)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | ZSDPKKGOSKXEHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(cc2)C#N |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(cc2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)c2ccc(cc2)C#N |
