A1ABU
Summary
| Name: | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
| Formula: | C13 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 231.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
| OpenEye OEToolkits | 2.0.7 | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCN(c2ccccc2)C21CCNCC2 |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17) |
| InChIKey | InChI | 1.06 | HTQWGIHCFPWKAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCN(c2ccccc2)C13CCNCC3 |
| SMILES | CACTVS | 3.385 | O=C1NCN(c2ccccc2)C13CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CNC(=O)C23CCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CNC(=O)C23CCNCC3 |
