F1E
Summary
| Name: | ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate |
| Formula: | C16 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 346.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24) |
| InChIKey | InChI | 1.03 | GPGRCPHGBRLBEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C |
