OCZ
Summary
| Name: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide |
| Formula: | C13 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 248.708 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide |
| OpenEye OEToolkits | 1.9.2 | (1S)-6-chloranyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1)nc3c2CCCC3C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | FUZYTVDVLBBXDL-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCc2c1[nH]c3ccc(Cl)cc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N |
