8MQ
Summary
| Name: | 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one |
| Formula: | C17 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 270.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | OLYBVEMMSRDXDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 |
