K4L
Summary
| Name: | 5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one |
| Formula: | C18 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 276.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-(2-phenylethyl)[3,4'-bipyridin]-6(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 3-(2-phenylethyl)-5-pyridin-4-yl-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC=C(C=C1CCc1ccccc1)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13H,6-7H2,(H,20,21) |
| InChIKey | InChI | 1.06 | YWGNHYQXOBLFSI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=C(C=C1CCc2ccccc2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | O=C1NC=C(C=C1CCc2ccccc2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CCC2=CC(=CNC2=O)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CCC2=CC(=CNC2=O)c3ccncc3 |
