1AI
Summary
| Name: | ~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide |
| Formula: | C21 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 346.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4O/c1-15-7-3-5-9-17(15)13-24-20-19(22-11-12-23-20)21(26)25-14-18-10-6-4-8-16(18)2/h3-12H,13-14H2,1-2H3,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.03 | HDTUPNYLSOQSAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3C |
| SMILES | CACTVS | 3.385 | Cc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C |
