JFB
Summary
| Name: | 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| Formula: | C18 H14 N6 |
| Formal charge: | 0 |
| Formula weight: | 314.344 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)14-2-1-13-5-8-24(16(13)9-14)11-12-3-6-21-7-4-12/h1-9H,11H2,(H3,20,22,23) |
| InChIKey | InChI | 1.03 | MOYIETQNOXXROV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3ccn(Cc4ccncc4)c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3ccn(Cc4ccncc4)c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N |
