B7W
Summary
| Name: | 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline |
| Formula: | C18 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 286.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14N4/c19-15-5-1-3-12(7-15)14-8-16-17(11-22-18(16)21-10-14)13-4-2-6-20-9-13/h1-11H,19H2,(H,21,22) |
| InChIKey | InChI | 1.03 | YWOJRGRRNWQSOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(c1)c2cnc3[nH]cc(c4cccnc4)c3c2 |
| SMILES | CACTVS | 3.385 | Nc1cccc(c1)c2cnc3[nH]cc(c4cccnc4)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4 |
