7M2
Summary
| Name: | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline |
| Formula: | C16 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 247.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | BSOBGTYXYGHUTD-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N1[C@H](c2cccnc2)c3cccn3c4ccccc14 |
| SMILES | CACTVS | 3.385 | N1[CH](c2cccnc2)c3cccn3c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc-2c(c1)NC(c3n2ccc3)c4cccnc4 |
