S9K
Summary
| Name: | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one |
| Formula: | C20 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 330.383 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4O/c25-19-8-4-5-14-13-15(9-10-17(14)23-19)18-11-12-21-20(24-18)22-16-6-2-1-3-7-16/h1-3,6-7,9-13H,4-5,8H2,(H,23,25)(H,21,22,24) |
| InChIKey | InChI | 1.03 | YJONEAMNBLRMKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3 |
| SMILES | CACTVS | 3.385 | O=C1CCCc2cc(ccc2N1)c3ccnc(Nc4ccccc4)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4 |
