AWV
Summary
| Name: | 3-(azepan-1-ylmethyl)-1~{H}-indole |
| Formula: | C15 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 228.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(azepan-1-ylmethyl)-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2 |
| InChIKey | InChI | 1.03 | PDUPXVBNXBQTQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCCN(CC1)Cc2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | C1CCCN(CC1)Cc2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3 |
