A1ITO
Summary
| Name: | (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide |
| Synonyms: | (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide |
| Formula: | C16 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 285.725 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClNO2/c17-10-4-3-5-11(8-10)18-16(20)14-9-15(19)13-7-2-1-6-12(13)14/h1-8,14H,9H2,(H,18,20)/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | RFLUKYBYMRHLOS-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(NC(=O)[CH]2CC(=O)c3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CC2=O)C(=O)Nc3cccc(c3)Cl |
