87V
Summary
| Name: | 2-methyl-5-phenyl-1H-pyrrole-3-carboxamide |
| Formula: | C12 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 200.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-5-phenyl-1H-pyrrole-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-5-phenyl-1~{H}-pyrrole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cccc1)c2cc(C(=O)N)c(C)n2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O/c1-8-10(12(13)15)7-11(14-8)9-5-3-2-4-6-9/h2-7,14H,1H3,(H2,13,15) |
| InChIKey | InChI | 1.03 | CJXRIVBNRCQKLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(cc1C(N)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(cc1C(N)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cc([nH]1)c2ccccc2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cc([nH]1)c2ccccc2)C(=O)N |
