32Z
Summary
| Name: | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one |
| Formula: | C18 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 302.411 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.9.2 | 5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3c2cccc(OCCCCN1CCCCC1)c2CCN3 |
| InChI | InChI | 1.03 | InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21) |
| InChIKey | InChI | 1.03 | RVOUDNBEIXGHJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 |
| SMILES | CACTVS | 3.385 | O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O |
