A1IG3
Summary
| Name: | (4aR,8aS)-6-[4-(diphenylmethyl)piperidin-1-yl]carbonyl-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one |
| Synonyms: | (4aS,8aR)-6-(4-benzhydrylpiperidine-1-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one |
| Formula: | C26 H31 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 433.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{a}~{R},8~{a}~{S})-6-[4-(diphenylmethyl)piperidin-1-yl]carbonyl-4,4~{a},5,7,8,8~{a}-hexahydropyrido[4,3-b][1,4]oxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H31N3O3/c30-24-18-32-23-13-16-29(17-22(23)27-24)26(31)28-14-11-21(12-15-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23,25H,11-18H2,(H,27,30) |
| InChIKey | InChI | 1.06 | ARSYSYCENXVYHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CO[C@H]2CCN(C[C@H]2N1)C(=O)N3CCC(CC3)C(c4ccccc4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | O=C1CO[CH]2CCN(C[CH]2N1)C(=O)N3CCC(CC3)C(c4ccccc4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)C3CCN(CC3)C(=O)N4CC[C@H]5[C@@H](C4)NC(=O)CO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)C3CCN(CC3)C(=O)N4CCC5C(C4)NC(=O)CO5 |
