A1IAC
Summary
| Name: | 1-(4-ethyl-2-methyl-5-piperazin-1-ylcarbonyl-1~{H}-pyrrol-3-yl)ethanone |
| Formula: | C14 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 263.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-ethyl-2-methyl-5-piperazin-1-ylcarbonyl-1~{H}-pyrrol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H21N3O2/c1-4-11-12(10(3)18)9(2)16-13(11)14(19)17-7-5-15-6-8-17/h15-16H,4-8H2,1-3H3 |
| InChIKey | InChI | 1.06 | PENOPOJANWOHQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1C(=O)N2CCNCC2)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1C(=O)N2CCNCC2)C)C(=O)C |
