IM7
Summary
| Name: | (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
| Synonyms: | isomalbrancheamide B |
| Formula: | C21 H24 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 369.888 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1C63CN2C(C1=O)(CCC2)CC6C(c5c(C3)c4c(ccc(c4)Cl)n5)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1 |
| InChIKey | InChI | 1.03 | OLTNNHBFPVARTE-DQLDELGASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c6cc(Cl)ccc6[nH]c15)NC4=O |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2C[C]34CCCN3C[C]2(Cc5c6cc(Cl)ccc6[nH]c15)NC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(c2c(c3cc(ccc3[nH]2)Cl)CC45C1CC6(CCCN6C4)C(=O)N5)C |
