EZX
Summary
| Name: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one |
| Formula: | C23 H24 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 377.455 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H24FN3O/c24-18-8-6-16(7-9-18)22(28)5-2-10-26-11-12-27-19(15-26)13-17-14-25-20-3-1-4-21(27)23(17)20/h1,3-4,6-9,14,19,25H,2,5,10-13,15H2/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | QNGJKKMQTDOCDJ-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)CCCN2CCN3[C@@H](C2)Cc4c[nH]c5cccc3c45 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C(=O)CCCN2CCN3[CH](C2)Cc4c[nH]c5cccc3c45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c3c(c1)N4CCN(C[C@H]4Cc3c[nH]2)CCCC(=O)c5ccc(cc5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c3c(c1)N4CCN(CC4Cc3c[nH]2)CCCC(=O)c5ccc(cc5)F |
