JD2
Summary
| Name: | 5-azanyl-3-[1-(pyridin-2-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-2-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)13-5-4-12-6-8-24(16(12)9-13)11-14-3-1-2-7-21-14/h1-9H,11H2,(H3,20,22,23) |
| InChIKey | InChI | 1.03 | OGAVRMBWGWENPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N |
