A1EE2
Summary
| Name: | ~{N}-cyclopropyl-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]benzamide |
| Formula: | C21 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 363.41 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H21N3O3/c25-19-9-4-12-24(19)16-6-3-5-14(13-16)20(26)23-18-8-2-1-7-17(18)21(27)22-15-10-11-15/h1-3,5-8,13,15H,4,9-12H2,(H,22,27)(H,23,26) |
| InChIKey | InChI | 1.06 | QLQTUVZVGBAASB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCN1c2cccc(c2)C(=O)Nc3ccccc3C(=O)NC4CC4 |
| SMILES | CACTVS | 3.385 | O=C1CCCN1c2cccc(c2)C(=O)Nc3ccccc3C(=O)NC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NC2CC2)NC(=O)c3cccc(c3)N4CCCC4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NC2CC2)NC(=O)c3cccc(c3)N4CCCC4=O |
