LDD
Summary
| Name: | (azepan-1-yl)(4-methoxyphenyl)methanone |
| Formula: | C14 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (azepan-1-yl)(4-methoxyphenyl)methanone |
| OpenEye OEToolkits | 2.0.6 | azepan-1-yl-(4-methoxyphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCCCCC1)C(c2ccc(cc2)OC)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | OOKCGNCOULVMQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(=O)N2CCCCCC2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(=O)N2CCCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C(=O)N2CCCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C(=O)N2CCCCCC2 |
