A1D59
Summary
| Name: | (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide |
| Formula: | C24 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 400.473 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H24N4O2/c29-21-10-14-28(15-11-21)23-17-20(9-13-26-23)19-8-12-25-22(16-19)27-24(30)7-6-18-4-2-1-3-5-18/h1-9,12-13,16-17,21,29H,10-11,14-15H2,(H,25,27,30) |
| InChIKey | InChI | 1.06 | LLCXZJGKTNDVLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)c2cc(ccn2)c3ccnc(NC(=O)/C=C/c4ccccc4)c3 |
| SMILES | CACTVS | 3.385 | OC1CCN(CC1)c2cc(ccn2)c3ccnc(NC(=O)C=Cc4ccccc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C=C/C(=O)Nc2cc(ccn2)c3ccnc(c3)N4CCC(CC4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C=CC(=O)Nc2cc(ccn2)c3ccnc(c3)N4CCC(CC4)O |
