95N
Summary
| Name: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine |
| Formula: | C16 H23 Br N6 |
| Formal charge: | 0 |
| Formula weight: | 379.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H23BrN6/c1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16/h2-5,14H,6-11H2,1H3,(H3,18,19,20,21) |
| InChIKey | InChI | 1.03 | DRIHQKATVUWZLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCc1ccc(Br)cc1)C2CCN(CC2)c3[nH]nc(N)n3 |
| SMILES | CACTVS | 3.385 | CN(CCc1ccc(Br)cc1)C2CCN(CC2)c3[nH]nc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N |
