6OJ
Summary
| Name: | 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one |
| Synonyms: | Dihydro-Bauerine C |
| Formula: | C12 H10 Cl2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 269.127 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7,8-dichloro-9-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one |
| OpenEye OEToolkits | 1.9.2 | 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | MYIBLDZPAOEFTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c2C(=O)NCCc2c3ccc(Cl)c(Cl)c13 |
| SMILES | CACTVS | 3.385 | Cn1c2C(=O)NCCc2c3ccc(Cl)c(Cl)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3 |
