VKW
Summary
| Name: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one |
| Formula: | C20 H25 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 400.905 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28) |
| InChIKey | InChI | 1.03 | HVYNZDGGVRBTFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2 |
| SMILES | CACTVS | 3.385 | Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3 |
