JV5
Summary
| Name: | ~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide |
| Formula: | C15 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 282.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19) |
| InChIKey | InChI | 1.03 | VIBQPIOMWNLUQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3 |
