7QC
Summary
| Name: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile |
| Formula: | C20 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 348.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4O2/c1-24-12-23-19(20(24)15-6-4-13(10-21)5-7-15)18-16(25-2)8-14(11-22)9-17(18)26-3/h4-9,12H,11,22H2,1-3H3 |
| InChIKey | InChI | 1.03 | ZMYTUDHTGNNWHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N |
| SMILES | CACTVS | 3.385 | COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cnc(c1c2ccc(cc2)C#N)c3c(cc(cc3OC)CN)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cnc(c1c2ccc(cc2)C#N)c3c(cc(cc3OC)CN)OC |
