5Q2
Summary
| Name: | 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide |
| Formula: | C25 H28 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 465.975 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H28ClN5O2/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)29-25(33)23-22(11-13-28-24(23)32)27-12-10-18-2-4-19(26)5-3-18/h2-9,11,13H,10,12,14-17H2,1H3,(H,29,33)(H2,27,28,32) |
| InChIKey | InChI | 1.03 | MOSAREMUBHMKIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(NC(=O)C3=C(NCCc4ccc(Cl)cc4)C=CNC3=O)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(NC(=O)C3=C(NCCc4ccc(Cl)cc4)C=CNC3=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl |
