JVD
Summary
| Name: | N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide |
| Formula: | C12 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 232.282 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2~{R})-3-methylbutan-2-yl]-3~{H}-benzotriazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc2c(cc1C(NC(C)C(C)C)=O)nnn2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O/c1-7(2)8(3)13-12(17)9-4-5-10-11(6-9)15-16-14-10/h4-8H,1-3H3,(H,13,17)(H,14,15,16)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | ONKYUGFAMPVNLE-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](C)NC(=O)c1ccc2nn[nH]c2c1 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](C)NC(=O)c1ccc2nn[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(C)NC(=O)c1ccc2c(c1)[nH]nn2 |
