A1JMS
Summary
| Name: | ~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline |
| Formula: | C21 H23 N3 |
| Formal charge: | 0 |
| Formula weight: | 317.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23N3/c1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3 |
| InChIKey | InChI | 1.06 | CKGXUTKMDFLIHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(cc2cc(CNC)ccc12)C#CCNc3ccccc3 |
| SMILES | CACTVS | 3.385 | CCn1c(cc2cc(CNC)ccc12)C#CCNc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC |
