9IZ
Summary
| Name: | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine |
| Formula: | C23 H21 N5 |
| Formal charge: | 0 |
| Formula weight: | 367.446 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2 |
| InChIKey | InChI | 1.03 | IAYCCYKQDTVUPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4 |
| SMILES | CACTVS | 3.385 | C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4 |
