A1JGF
Summary
| Name: | [1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine |
| Formula: | C18 H17 Cl N6 |
| Formal charge: | 0 |
| Formula weight: | 352.821 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2 |
| InChIKey | InChI | 1.06 | AJMPAXTYEVALRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1 |
| SMILES | CACTVS | 3.385 | NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2c3ccc(cc3nc2Cn4cnc(n4)CN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2c3ccc(cc3nc2Cn4cnc(n4)CN)Cl |
