53Z
Summary
| Name: | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea |
| Formula: | C14 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea |
| OpenEye OEToolkits | 1.7.6 | 1-[(4-aminophenyl)methyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCC1)CNC(=O)NCc2ccc(N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O2/c15-12-5-3-11(4-6-12)9-16-14(20)17-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10,15H2,(H2,16,17,20) |
| InChIKey | InChI | 1.03 | QDOWQYVYSCTSGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1 |
| SMILES | CACTVS | 3.370 | Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N |
