5YG
Summary
| Name: | ~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline |
| Formula: | C20 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 304.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20N2O/c1-23-20-8-4-18(5-9-20)15-22-19-6-2-16(3-7-19)14-17-10-12-21-13-11-17/h2-13,22H,14-15H2,1H3 |
| InChIKey | InChI | 1.03 | FVAKBCRCJCQWCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNc2ccc(cc2)Cc3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNc2ccc(cc2)Cc3ccncc3 |
