DKR
Summary
| Name: | N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide |
| Formula: | C13 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 214.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | QNGNTDZXTCCSEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CNC(=O)c2[nH]ccc2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CNC(=O)c2[nH]ccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)c2ccc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)c2ccc[nH]2 |
