KB9
Summary
| Name: | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one |
| Formula: | C24 H29 N3 O |
| Formal charge: | 0 |
| Formula weight: | 375.507 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H29N3O/c1-2-3-24(28)23-17-21-16-20(19-8-13-26-14-9-19)4-5-22(21)27(23)15-10-18-6-11-25-12-7-18/h4-5,8-9,13-14,16-18,25H,2-3,6-7,10-12,15H2,1H3 |
| InChIKey | InChI | 1.06 | IYABFOYSNZVVSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4 |
| SMILES | CACTVS | 3.385 | CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4 |
