7AC
Summary
| Name: | 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile |
| Formula: | C16 H13 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 296.754 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-benzimidazole-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3ccccc3c1c(C#N)cc2ncn(c2c1CN)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cnc2cc(C#N)c(c(CN)c12)c3ccccc3Cl |
| SMILES | CACTVS | 3.341 | Cn1cnc2cc(C#N)c(c(CN)c12)c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN |
| InChI | InChI | 1.03 | InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3 |
| InChIKey | InChI | 1.03 | YJLVMTVZVJSNHG-UHFFFAOYSA-N |
