A1CP0
Summary
| Name: | N-(2-amino-2-oxoethyl)-6-chloro-1H-indole-2-carboxamide |
| Formula: | C11 H10 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 251.669 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-amino-2-oxoethyl)-6-chloro-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)CNC(=O)c1cc2ccc(Cl)cc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10ClN3O2/c12-7-2-1-6-3-9(15-8(6)4-7)11(17)14-5-10(13)16/h1-4,15H,5H2,(H2,13,16)(H,14,17) |
| InChIKey | InChI | 1.06 | XMJVDHWCSSPBKX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CNC(=O)c1[nH]c2cc(Cl)ccc2c1 |
| SMILES | CACTVS | 3.385 | NC(=O)CNC(=O)c1[nH]c2cc(Cl)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)C(=O)NCC(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)C(=O)NCC(=O)N)Cl |
