JEW
Summary
| Name: | 2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile |
| Formula: | C19 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 313.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H15N5/c20-11-15-3-1-2-4-16(15)12-24-8-7-13-5-6-14(9-18(13)24)17-10-19(21)23-22-17/h1-10H,12H2,(H3,21,22,23) |
| InChIKey | InChI | 1.03 | BIAUTOGYZPQBHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4C#N)c3c2 |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4C#N)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N |
