A1EHU
Summary
| Name: | methyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate |
| Formula: | C19 H15 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 350.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H15FN4O2/c1-26-19(25)15-16-18(23-14-5-3-2-4-13(14)22-16)24(17(15)21)10-11-6-8-12(20)9-7-11/h2-9H,10,21H2,1H3 |
| InChIKey | InChI | 1.06 | ZIRBXDWXWABLAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(N)n(Cc2ccc(F)cc2)c3nc4ccccc4nc13 |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(N)n(Cc2ccc(F)cc2)c3nc4ccccc4nc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c2c(nc3ccccc3n2)n(c1N)Cc4ccc(cc4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c2c(nc3ccccc3n2)n(c1N)Cc4ccc(cc4)F |
