R3R
Summary
| Name: | 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form |
| Formula: | C16 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 251.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 9-propanoyl-9H-carbazole-3-carbaldehyde |
| OpenEye OEToolkits | 2.0.7 | 9-propanoylcarbazole-3-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)n1c2ccccc2c2cc(C=O)ccc21 |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO2/c1-2-16(19)17-14-6-4-3-5-12(14)13-9-11(10-18)7-8-15(13)17/h3-10H,2H2,1H3 |
| InChIKey | InChI | 1.03 | MSWITDIZQVDNBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)n1c2ccccc2c3cc(C=O)ccc13 |
| SMILES | CACTVS | 3.385 | CCC(=O)n1c2ccccc2c3cc(C=O)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)n1c2ccccc2c3c1ccc(c3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)n1c2ccccc2c3c1ccc(c3)C=O |
