PJ4
Summary
| Name: | (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline |
| Formula: | C14 H18 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 263.766 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline |
| OpenEye OEToolkits | 2.0.6 | 3-chloranyl-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3 |
| InChIKey | InChI | 1.03 | CNZUDFLBFGHIKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)[C@H]2N=C(Cl)Cc3ccccc23 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)[CH]2N=C(Cl)Cc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl |
