GJN
Summary
| Name: | 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine |
| Formula: | C16 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 260.293 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine |
| OpenEye OEToolkits | 2.0.7 | 4-phenyl-5~{H}-pyridazino[4,3-b]indol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1nnc2c3ccccc3[NH]c2c1c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20) |
| InChIKey | InChI | 1.03 | DHDZFJQQXROKLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnc2c([nH]c3ccccc23)c1c4ccccc4 |
| SMILES | CACTVS | 3.385 | Nc1nnc2c([nH]c3ccccc23)c1c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3c(c4ccccc4[nH]3)nnc2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3c(c4ccccc4[nH]3)nnc2N |
