E6W
Summary
| Name: | 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one |
| Formula: | C16 H9 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 325.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H |
| InChIKey | InChI | 1.03 | VKVBXHZFKDKMDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4 |
| SMILES | CACTVS | 3.385 | Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4 |
