K06
Summary
| Name: | 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one |
| Formula: | C27 H29 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 443.537 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H29N3O3/c1-3-13-30-22-14-21(18-7-5-4-6-8-18)24(29-25(22)33-15-23(30)31)19-9-11-20(12-10-19)27(28)16-26(2,32)17-27/h4-12,14,32H,3,13,15-17,28H2,1-2H3/t26-,27- |
| InChIKey | InChI | 1.06 | TVEPNGFDBLRHKR-MCZWQBSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)COc2nc(c3ccc(cc3)[C@@]4(N)C[C@@](C)(O)C4)c(cc12)c5ccccc5 |
| SMILES | CACTVS | 3.385 | CCCN1C(=O)COc2nc(c3ccc(cc3)[C]4(N)C[C](C)(O)C4)c(cc12)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1c2cc(c(nc2OCC1=O)c3ccc(cc3)C4(CC(C4)(C)O)N)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1c2cc(c(nc2OCC1=O)c3ccc(cc3)C4(CC(C4)(C)O)N)c5ccccc5 |
