BW6
Summary
| Name: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one |
| Formula: | C17 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 281.352 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O/c1-11-17(21)19(2)15-8-5-12(14-4-3-9-18-14)10-16(15)20(11)13-6-7-13/h3-5,8-11,13,18H,6-7H2,1-2H3/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZSPWREXVPNMKQP-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[nH]ccc4 |
| SMILES | CACTVS | 3.385 | C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[nH]ccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C |
