80O
Summary
| Name: | N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide |
| Formula: | C20 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 368.43 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1Z)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(=[N@H])Cc1cccc(OC)c1)c2c(nccc2)OC3CCNCC3 |
| InChI | InChI | 1.03 | InChI=1S/C20H24N4O3/c1-26-16-5-2-4-14(12-16)13-18(21)24-19(25)17-6-3-9-23-20(17)27-15-7-10-22-11-8-15/h2-6,9,12,15,22H,7-8,10-11,13H2,1H3,(H2,21,24,25) |
| InChIKey | InChI | 1.03 | GRWVIKXCGQEZMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2cccnc2OC3CCNCC3)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2cccnc2OC3CCNCC3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)CC(=N)NC(=O)c2cccnc2OC3CCNCC3 |
