A1CP1
Summary
| Name: | 7-bromo-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Formula: | C11 H8 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 278.105 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 7-bromo-3-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| OpenEye OEToolkits | 3.1.0.0 | 7-bromanyl-3-methyl-5~{H}-pyridazino[4,5-b]indol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1c2[NH]c3cc(Br)ccc3c2C=NN1C |
| InChI | InChI | 1.06 | InChI=1S/C11H8BrN3O/c1-15-11(16)10-8(5-13-15)7-3-2-6(12)4-9(7)14-10/h2-5,14H,1H3 |
| InChIKey | InChI | 1.06 | CYQMKXFBYCNPCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=Cc2c([nH]c3cc(Br)ccc23)C1=O |
| SMILES | CACTVS | 3.385 | CN1N=Cc2c([nH]c3cc(Br)ccc23)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1C(=O)c2c(c3ccc(cc3[nH]2)Br)C=N1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1C(=O)c2c(c3ccc(cc3[nH]2)Br)C=N1 |
