GJW
Summary
| Name: | 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one |
| Formula: | C16 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 267.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one |
| OpenEye OEToolkits | 1.5.0 | 7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,1-c]quinoxalin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3c4cccn4c1c(cc(cc1)CN2CCCC2)N3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1Nc2cc(CN3CCCC3)ccc2n4cccc14 |
| SMILES | CACTVS | 3.341 | O=C1Nc2cc(CN3CCCC3)ccc2n4cccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20) |
| InChIKey | InChI | 1.03 | ZLYVTQGSZRQZLA-UHFFFAOYSA-N |
