PV3
Summary
| Name: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine |
| Formula: | C20 H19 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 338.831 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[2-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-yl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)COc1ccccc1CNCc1ccncc1 |
| InChI | InChI | 1.03 | InChI=1S/C20H19ClN2O/c21-19-6-3-4-17(12-19)15-24-20-7-2-1-5-18(20)14-23-13-16-8-10-22-11-9-16/h1-12,23H,13-15H2 |
| InChIKey | InChI | 1.03 | YRYYIHISROZCQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(COc2ccccc2CNCc3ccncc3)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(COc2ccccc2CNCc3ccncc3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl |
