ZPC
Summary
| Name: | (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate |
| Synonyms: | R-ZOPICLONE |
| Formula: | C17 H17 Cl N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 388.808 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate |
| OpenEye OEToolkits | 1.7.6 | [(7R)-6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | GBBSUAFBMRNDJC-MRXNPFEDSA-N |
| SMILES | ACDLabs | 12.01 | O=C(OC3c1nccnc1C(=O)N3c2ncc(Cl)cc2)N4CCN(C)CC4 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCN(CC1)C(=O)O[C@H]2N(C(=O)c3nccnc23)c4ccc(Cl)cn4 |
| SMILES | CACTVS | 3.370 | CN1CCN(CC1)C(=O)O[CH]2N(C(=O)c3nccnc23)c4ccc(Cl)cn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl |
