4N0
Summary
| Name: | (4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
| Formula: | C16 H13 I N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 392.191 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13IN2O2/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(20)19-14-4-2-1-3-12(13)14/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | DDBKMCQLKKZOJH-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc23)cc1 |
| SMILES | CACTVS | 3.385 | Ic1ccc(NC(=O)[CH]2CC(=O)Nc3ccccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)Nc3ccc(cc3)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CC(=O)N2)C(=O)Nc3ccc(cc3)I |
