11K
Summary
| Name: | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide |
| Formula: | C20 H26 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 354.446 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}acetamide |
| OpenEye OEToolkits | 1.7.2 | N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnc(c1)C2CC2)Cc4ccc(OCCN3CCCC3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25) |
| InChIKey | InChI | 1.03 | RBPFQBARVLHLER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc3cc([nH]n3)C4CC4 |
| SMILES | CACTVS | 3.370 | O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc3cc([nH]n3)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4 |
