RKJ
Summary
| Name: | (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol |
| Formula: | C14 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 263.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C3c4onc(C)c4C(C12C(CN(C2)CC)C3)O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O2/c1-4-17-6-9-5-10-12-11(8(2)15-19-12)13(18)14(9,7-17)16(10)3/h9-10,13,18H,4-7H2,1-3H3/t9-,10-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | BZPBUUKNGNRKPU-DUBDDPSESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C[C@@H]2C[C@@H]3N(C)[C@@]2(C1)[C@H](O)c4c(C)noc34 |
| SMILES | CACTVS | 3.385 | CCN1C[CH]2C[CH]3N(C)[C]2(C1)[CH](O)c4c(C)noc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN1CC2CC3c4c(c(no4)C)C(C2(C1)N3C)O |
