A1D6A
Summary
| Name: | (~{E})-~{N}-[4-[2-[methyl(pentyl)amino]pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide |
| Formula: | C25 H28 N4 O |
| Formal charge: | 0 |
| Formula weight: | 400.516 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-~{N}-[4-[2-[methyl(pentyl)amino]pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H28N4O/c1-3-4-8-17-29(2)24-19-22(14-16-27-24)21-13-15-26-23(18-21)28-25(30)12-11-20-9-6-5-7-10-20/h5-7,9-16,18-19H,3-4,8,17H2,1-2H3,(H,26,28,30)/b12-11+ |
| InChIKey | InChI | 1.06 | JESHQTVEYRHGAT-VAWYXSNFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN(C)c1cc(ccn1)c2ccnc(NC(=O)/C=C/c3ccccc3)c2 |
| SMILES | CACTVS | 3.385 | CCCCCN(C)c1cc(ccn1)c2ccnc(NC(=O)C=Cc3ccccc3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCN(C)c1cc(ccn1)c2ccnc(c2)NC(=O)/C=C/c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCN(C)c1cc(ccn1)c2ccnc(c2)NC(=O)C=Cc3ccccc3 |
