8HT
Summary
| Name: | ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide |
| Formula: | C26 H26 F N5 O |
| Formal charge: | 0 |
| Formula weight: | 443.516 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H26FN5O/c27-17-24(28)29-16-6-11-23(25-30-21-9-4-5-10-22(21)31-25)32-26(33)20-14-12-19(13-15-20)18-7-2-1-3-8-18/h1-5,7-10,12-15,23H,6,11,16-17H2,(H2,28,29)(H,30,31)(H,32,33)/t23-/m0/s1 |
| InChIKey | InChI | 1.03 | YLSHDLCSANAKPH-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)c2ccccc2)c3[nH]c4ccccc4n3 |
| SMILES | CACTVS | 3.385 | FCC(=N)NCCC[CH](NC(=O)c1ccc(cc1)c2ccccc2)c3[nH]c4ccccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2)C(=O)NC(CCCNC(=N)CF)c3[nH]c4ccccc4n3 |
