ZMC
Summary
| Name: | ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine |
| Formula: | C14 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 242.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2 |
| InChIKey | InChI | 1.06 | UGGCQMVKRPFZEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Oc2ccc(CNCc3ccncc3)cc2O1 |
| SMILES | CACTVS | 3.385 | C1Oc2ccc(CNCc3ccncc3)cc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNCc3ccncc3)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNCc3ccncc3)OCO2 |
