76Y
Summary
| Name: | 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide |
| Formula: | C12 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 234.682 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11ClN2O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(15)12(14)16/h1-7H,8H2,(H2,14,16) |
| InChIKey | InChI | 1.03 | FNWQVYIDFQBAEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccn1Cc2ccccc2Cl |
| SMILES | CACTVS | 3.385 | NC(=O)c1cccn1Cc2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)Cn2cccc2C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(c(c1)Cn2cccc2C(=O)N)Cl |
